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Physical Sciences

PSD Publications

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Scientists in the Physical Sciences Directorate publish their research in a host of peer-reviewed journals. The publications below are listed in alphabetical order by first author.


Blake TA, JM Flaud, and WJ Lafferty. 2017. "First analysis of the rotationally-resolved ?2 and 2?2-?2 bands of sulfur dioxide, 33S16O2." Journal of Molecular Spectroscopy 333:19-22.  doi:10.1016/j.jms.2016.12.011

Bullock RM. 2017. "Reaction: Earth-Abundant Metal Catalysts for Energy Conversions." Chem 2(4):444-446.  doi:10.1016/j.chempr.2017.03.019

Chen L, RS Smith, BD Kay, and Z Dohnalek. 2017. "Direct Deoxygenation of Phenylmethanol to Methylbenzene and Benzyl Radicals on Rutile TiO2(110)." ACS Catalysis 7(3):2002-2006.  doi:10.1021/acscatal.6b03225

De Yoreo JJ. 2017. "A holistic view of nucleation and self-assembly." MRS Bulletin 42(7):525-531.  doi:10.1557/mrs.2017.143

Gong Y, AG Joly, PZ El-Khoury, and WP Hess. 2017. "Polarization Directed Surface Plasmon Polariton Launching." Journal of Physical Chemistry Letters 8(1):49-54.  doi:10.1021/acs.jpclett.6b02509

Johnson GE, and J Laskin. 2017. "In-Plane Multimagnetron Approach." Chapter 5 in Gas-Phase Synthesis of Nanoparticles, ed. Y Huttel, pp. 79-100.  Wiley-VCH, Weinheim, Germany.  doi:10.1002/9783527698417.ch5

Laskin J, and Q Hu. 2017. "Reactive Landing of Gramicidin S and Ubiquitin Ions onto Activated Self-Assembled Monolayer Surfaces." Journal of the American Society for Mass Spectrometry 28(7):1304-1312.  doi:10.1007/s13361-017-1614-2

Lindenmaier R, SD Williams, RL Sams, and TJ Johnson. 2017. "Quantitative Infrared Absorption Spectra and Vibrational Assignments of Crotonaldehyde and Methyl Vinyl Ketone Using Gas-Phase Mid-Infrared, Far-Infrared, and Liquid Raman Spectra: s-cis vs s-trans Composition Confirmed via Temperature Studies and ab Initio Methods." Journal of Physical Chemistry A 121(6):1195-1212.  doi:10.1021/acs.jpca.6b10872

Mei D, and JA Lercher. 2017. "Mechanistic insights into aqueous phase propanol dehydration in h-zsm-5 zeolite." AIChE Journal 63(1):172-184.  doi:10.1002/aic.15517

Schenter GK, and JL Fulton. 2017. "Molecular Dynamics Simulations and XAFS (MD-XAFS)." Chapter 18 in XAFS Techniques for Catalysts, Nanomaterials, and Surfaces, ed. Y Iwasawa, K Asakura and M Tada, pp. 251-270.  Springer International Publishing, Cham, Switzerland.  doi:10.1007/978-3-319-43866-5_18

Wang XB. 2017. "Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy." Journal of Physical Chemistry A 121(7):1389-1401.  doi:10.1021/acs.jpca.6b09784

Yuan C, RS Smith, and BD Kay. 2017. "Communication: Distinguishing between bulk and interface-enhanced crystallization in nanoscale films of amorphous solid water." Journal of Chemical Physics 146(3):031102.  doi:10.1063/1.4974492

Arsenault EA, DA Obenchain, TA Blake, SA Cooke, and SE Novick. 2017. "A study of the Conformational Isomerism of -lodobutane by High Resolution Rotational Spectroscopy." Journal of Molecular Spectroscopy 335:17-22.  doi:10.1016/j.jms.2017.03.014

Bell DM, D Imre, ST Martin, and A Zelenyuk-Imre. 2017. "The Properties and Behavior of alpha-Pinene Secondary Organic Aerosol Particles Exposed to Ammonia Under Dry Conditions." Physical Chemistry Chemical Physics. PCCP 19(9):6497-6507.  doi:10.1039/c6cp08839b

Bhattacharya P, DE Prokopchuk, and MT Mock. 2017. "Exploring the Role of Pendant Amines in Transition Metal Complexes for the Reduction of N2 to Hydrazine and Ammonia." Coordination Chemistry Reviews 334:67-83.  doi:10.1016/j.ccr.2016.07.005

Bhattacharya P, ZM Heiden, ES Wiedner, S Raugei, NA Piro, WS Kassel, RM Bullock, and MT Mock. 2017. "Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex." Journal of the American Chemical Society 139(8):2916-2919.  doi:10.1021/jacs.7b00002

Blair SL, AC Macmillan, GT Drozd, AH Goldstein, RK Chu, L Pasa Tolic, JB Shaw, N Tolic, P Lin, J Laskin, A Laskin, and S Nizkorodov. 2017. "Molecular Characterization of Organosulfur Compounds in Biodiesel and Diesel Fuel Secondary Organic Aerosol." Environmental Science & Technology 51(1):119-127.  doi:10.1021/acs.est.6b03304

Blake TA, CS Brauer, MRK Kelly-Gorham, SD Burton, M Bliss, TL Myers, TJ Johnson, and TE Tiwald. 2017. "Measurement of the infrared optical constants for spectral modeling: n and k values for (NH4)2SO4 via single-angle reflectance and ellipsometric methods." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XXIII, April 9, 2017, Anaheim, California. Proceedings of the SPIE, vol. 10198, ed. M Velez-Reyes and DW Messinger, p. Article No. 101980J.  SPIE, BELLINGHAM, WA.  doi:10.1117/12.2264501

Boralugodage N, RM Jayasinha Arachchige, A Dutta, GW Buchko, and WJ Shaw. 2017. "Evaluating the Role of Acidic, Basic, and Polar Amino Acids and Dipeptides on a Molecular Electrocatalyst for H2 Oxidation." Catalysis Science & Technology 7(5):1108-1121.  doi:10.1039/c6cy02579j

Bullock RM, AK Das, and AM Appel. 2017. "Surface Immobilization of Molecular Electrocatalysts for Energy Conversions." Chemistry - A European Journal 23(32):7626 - 7641.  doi:10.1002/chem.201605066

Cantu Cantu D, Y Wang, Y Yoon, VA Glezakou, RJ Rousseau, and RS Weber. 2017. "Heterogeneous Catalysis in Complex, Condensed Reaction Media." Catalysis Today 289:231-236.  doi:10.1016/j.cattod.2016.08.025

Chimentao RJ, BC Miranda, J Szanyi, C Sepulveda, JBO Santos, JV Correa, J Llorca, and F Medina. 2017. "Sources of deactivation during glycerol conversion on Ni/?-Al2O3." Molecular Catalysis 435:49-57.  doi:10.1016/j.mcat.2017.03.023

Cochran RE, O Laskina, J Trueblood, AD Estillore, HS Morris, T Jayarathne, CM Sultana, C Lee, P Lin, J Laskin, A Laskin, J Dowling, Z Qin, C Cappa, T Bertram, AV Tivanski, E Stone, K Prather, and VH Grassian. 2017. "Molecular Diversity of Sea Spray Aerosol Particles: Impact of Ocean Biology on Particle Composition and Hygroscopicity." Chem 2(5):655-667.  doi:10.1016/j.chempr.2017.03.007

Dai H, X Chen, M Ye, X Song, and JM Zachara. 2017. "A Geostatistics-Informed Hierarchical Sensitivity Analysis Method for Complex Groundwater Flow and Transport Modeling." Water Resources Research 53(5):4327-4343.  doi:10.1002/2016WR019756

Dautel SE, JE Kyle, GCD Clair, RL Sontag, KK Weitz, AK Shukla, SN Nguyen, YM Kim, EM Zink, T Luders, C Frevert, SA Gharib, J Laskin, JP Carson, TO Metz, RA Corley, and CK Ansong. 2017. "Lipidomics reveals dramatic lipid compositional changes in the maturing postnatal lung." Scientific Reports 7:Article No. 40555.  doi:10.1038/srep40555

Fischer SA, E Apra, N Govind, WP Hess, and PZ El-Khoury. 2017. "Non-Equilibrium Chemical Effects in Single Molecule SERS Revealed by ab initio Molecular Dynamics Simulations." Journal of Physical Chemistry A 121(6):1344-1350.  doi:10.1021/acs.jpca.6b12156

Flaud JM, TA Blake, and WJ Lafferty. 2017. "First high-resolution analysis of the ?1, ?3 and ?1 + ?3 bands of sulfur dioxide 33S16O2." Molecular Physics 115(4):447-453.  doi:10.1080/00268976.2016.1269966

Galib M, MD Baer, LB Skinner, CJ Mundy, T Huthwelker, GK Schenter, CJ Benmore, N Govind, and JL Fulton. 2017. "Revisiting the hydration structure of aqueous Na+." Journal of Chemical Physics 146(8):084504.  doi:10.1063/1.4975608

Gao F, D Mei, Y Wang, J Szanyi, and CHF Peden. 2017. "Selective Catalytic Reduction over Cu/SSZ-13: Linking Homo- and Heterogeneous Catalysis." Journal of the American Chemical Society 139(13):4935-4942.  doi:10.1021/jacs.7b01128

Gentil S, N Lalaoui, A Dutta, Y Nedellec, S Cosnier, WJ Shaw, V Artero, and A Le Goff. 2017. "Carbon-Nanotube-supported Bio-Inspired Nickel Catalyst and Its Integration in Hybrid Hydrogen/Air Fuel Cells." Angewandte Chemie International Edition 56(7):1845-1849.  doi:10.1002/anie.201611532

Gong Y, AG Joly, X Zhang, PZ El-Khoury, and WP Hess. 2017. "Surface Plasmon Coupling and Control using Spherical Cap Structures." Journal of Physical Chemistry Letters 8(12):2695-2699.  doi:10.1021/acs.jpclett.7b00852

Henderson MA, and M Shen. 2017. "Electron-scavenging chemistry of benzoquinone on TiO2(110)." Topics in Catalysis 60(6-7):440-445.  doi:10.1007/s11244-016-0707-7

Hou GL, J Zhang, M Valiev, and XB Wang. 2017. "Structures and energetics of hydrated deprotonated cis-pinonic acid anion clusters and their atmospheric relevance." Physical Chemistry Chemical Physics. PCCP 19(16):10676-10684.  doi:10.1039/c6cp08834a

Hu JZ, C Wan, A Vjunov, M Wang, Z Zhao, MY Hu, DM Camaioni, and JA Lercher. 2017. "27Al MAS NMR Studies of HBEA Zeolite at Low to High Magnetic Fields." Journal of Physics Chemistry C 121(23):12849-12854.  doi:10.1021/acs.jpcc.7b03517

Hufschmid RD, CJ Newcomb, JW Grate, JJ De Yoreo, ND Browning, and N Qafoku. 2017. "Direct visualization of aggregate morphology and dynamics in a model soil organic-mineral system." Environmental Science & Technology Letters 4(5):186-191.  doi:10.1021/acs.estlett.7b00068

Kassianov EI, MS Pekour, CJ Flynn, LK Berg, J Beranek, A Zelenyuk, C Zhao, LYR Leung, PL Ma, LD Riihimaki, JD Fast, JC Barnard, AG Hallar, I McCubbin, EW Eloranta, A McComiskey, and PJ Rasch. 2017. "Large Contribution of Coarse Mode to Aerosol Microphysical and Optical Properties: Evidence from Ground-based Observations of a Transpacific Dust Outbreak at a High-Elevation North American Site." Journal of the Atmospheric Sciences 74(5):1431-1443.  doi:10.1175/JAS-D-16-0256.1

Kovarik L, NM Washton, RK Kukkadapu, A Devaraj, A Wang, Y Wang, J Szanyi, CHF Peden, and F Gao. 2017. "Transformation of active sites in Fe/SSZ-13 SCR catalysts during hydrothermal aging: a spectroscopic, microscopic and kinetics study." ACS Catalysis 7(4):2458-2470.  doi:10.1021/acscatal.6b03679

Li Z, X Yang, N Tsumori, Z Liu, Y Himeda, ST Autrey, and Q Xu. 2017. "Tandem Nitrogen Functionalization of Porous Carbon: Toward Immobilizing Highly Active Palladium Nanoclusters for Dehydrogenation of Formic Acid." ACS Catalysis 7(4):2720-2724.  doi:10.1021/acscatal.7b00053

Ligare MR, GE Johnson, and J Laskin. 2017. "Observing the Real Time Formation of Phosphine-Ligated Gold Clusters by Electrospray Ionization Mass Spectrometry." Physical Chemistry Chemical Physics. PCCP 19(26):17187-17198.  doi:10.1039/c7cp01402c

Ligare MR, EM Baker, J Laskin, and GE Johnson. 2017. "Ligand induced structural isomerism in phosphine coordinated gold clusters revealed by ion mobility mass spectrometry." Chemical Communications 53(53):7389-7392.  doi:10.1039/C7CC02251D

Liu Y, A Vjunov, H Shi, S Eckstein, DM Camaioni, D Mei, E Barath, and JA Lercher. 2017. "Enhancing the catalytic activity of hydronium ions through constrained environments." Nature Communications 8:Article No. 14113.  doi:10.1038/ncomms14113

Lu D, J Tao, P Yan, WA Henderson, Q Li, Y Shao, ML Helm, O Borodin, GL Graff, B Polzin, CM Wang, MH Engelhard, J Zhang, JJ De Yoreo, J Liu, and J Xiao. 2017. "Formation of Reversible Solid Electrolyte Interface on Graphite Surface from Concentrated Electrolytes." Nano Letters 17(3):1602-1609.  doi:10.1021/acs.nanolett.6b04766

Lukoyanov D, N Khadka, DR Dean, S Raugei, LC Seefeldt, and B Hoffman. 2017. "Photoinduced Reductive Elimination of H2 from the Nitrogenase Dihydride (Janus) State Involves a FeMo-cofactor-H2 Intermediate." Inorganic Chemistry 56(4):2233-2240.  doi:10.1021/acs.inorgchem.6b02899

Luo J, F Gao, K Kamasamudram, N Currier, CHF Peden, and A Yezerets. 2017. "New insights into Cu/SSZ-13 SCR catalyst acidity. Part I: Nature of acidic sites probed by NH3 titration." Journal of Catalysis 348:291-299.  doi:10.1016/j.jcat.2017.02.025

Ma X, S Zhang, F Jiao, CJ Newcomb, Y Zhang, A Prakash, Z Liao, M Baer, CJ Mundy, J Pfaendtner, A Noy, C Chen, and JJ De Yoreo. 2017. "Tuning crystallization pathways through sequence-engineering of biomimetic polymers." Nature Materials 16(7):767-774.  doi:10.1038/nmat4891

Malhotra D, JP Page, ME Bowden, AJ Karkamkar, DJ Heldebrant, VA Glezakou, RJ Rousseau, and PK Koech. 2017. "Phase-Change Aminopyridines as Carbon Dioxide Capture Solvents." Industrial and Engineering Chemistry Research 56(26):7534-7540.  doi:10.1021/acs.iecr.7b00874

McBriarty ME, JA Soltis, SN Kerisit, O Qafoku, ME Bowden, EJ Bylaska, JJ De Yoreo, and ES Ilton. 2017. "Trace Uranium Partitioning in a Multi-Phase Nano-FeOOH System." Environmental Science & Technology 51(9):4970-4977.  doi:10.1021/acs.est.7b00432

Nguyen SN, AV Liyu, RK Chu, CR Anderton, and J Laskin. 2017. "Constant-Distance Mode Nanospray Desorption Electrospray Ionization Mass Spectrometry Imaging of Biological Samples of Complex Topography." Analytical Chemistry 89(2):1131-1137.  doi:10.1021/acs.analchem.6b03293

Platero-Prats AE, A League, SV Bernales Candia, J Ye, LC Gallington, A Vjunov, N Schweitzer, Z Li, J Zheng, BL Mehdi, AJ Stevens, A Dohnalkova, M Balasubramanian, O Farha, J Hupp, ND Browning, JL Fulton, DM Camaioni, JA Lercher, DG Truhlar, L Gagliardi, C Cramer, and KW Chapman. 2017. "Bridging Zirconia Nodes within a Metal-Organic Framework via Catalytic Ni-hydroxo Clusters to Form Hetero-Bimetallic Nanowires." Journal of the American Chemical Society 139(30):10410-10418.  doi:10.1021/jacs.7b04997

Prodinger S, MA Derewinski, Y Wang, NM Washton, ED Walter, J Szanyi, F Gao, Y Wang, and CHF Peden. 2017. "Sub-micron Cu/SSZ-13: synthesis and application as selective catalytic reduction (SCR) catalysts." Applied Catalysis. B, Environmental 201:461-469.  doi:10.1016/j.apcatb.2016.08.053

Romonosky DE, Y Li, M Shiraiwa, A Laskin, J Laskin, and S Nizkorodov. 2017. "Aqueous Photochemistry of Secondary Organic Aerosol of a-Pinene and a-Humulene Oxidized with Ozone, Hydroxyl Radical, and Nitrate Radical." Journal of Physical Chemistry A 121(6):1298-1309.  doi:10.1021/acs.jpca.6b10900

Shrivastava MKB, C Cappa, J Fan, AH Goldstein, AB Guenther, JL Jimenez, C Kuang, A Laskin, ST Martin, NL Ng, T Petaja, J Pierce, PJ Rasch, P Roldin, JH Seinfeld, JE Shilling, JN Smith, JA Thornton, RM Volkamer, J Wang, D Worsnop, RA Zaveri, A Zelenyuk-Imre, and Q Zhang. 2017. "Recent advances in understanding secondary organic aerosol: implications for global climate forcing." Reviews of Geophysics 55(2):509-559.  doi:10.1002/2016RG000540

Shrivastava MKB, S Lou, A Zelenyuk-Imre, RC Easter, Jr, RA Corley, BD Thrall, PJ Rasch, JD Fast, SL Massey Simonich, H Shen, and S Tao. 2017. "Global Long-Range Transport and Lung Cancer Risk from Polycyclic Aromatic Hydrocarbons Shielded by Coatings of Organic Aerosol." Proceedings of the National Academy of Sciences of the United States of America 114(6):1246-1251.  doi:10.1073/pnas.1618475114

Tonkyn RG, TO Danby, JC Birnbaum, MS Taubman, BE Bernacki, TJ Johnson, and TL Myers. 2017. "Measurement of infrared refractive indices of organic and organophosphorous compounds for optical modeling." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XVIII, April 9, 2017, Anaheim, California. Proceedings of the SPIE, vol. 10183, ed. AW Fountain and JA Guicheteau, p. Article No. 1018306.  SPIE, BELLINGHAM, WA.  doi:10.1117/12.2264384

Wagenhofer MF, E Barath, OY Gutierrez, and JA Lercher. 2017. "Carbon-Carbon Bond Scission Pathways in the Deoxygenation of Fatty Acids on Transition-Metal Sulfides." ACS Catalysis 7(2):1068-1076.  doi:10.1021/acscatal.6b02753

Wang A, B Lin, H Zhang, MH Engelhard, Y Guo, G Lu, CHF Peden, and F Gao. 2017. "Ambient Temperature NO Oxidation Over Cr-based Amorphous Mixed Oxide Catalysts: Effects From the Second Oxide Components." Catalysis Science & Technology 7(11):2362-2370.  doi:10.1039/c7cy00490g

Wang A, Y Guo, F Gao, and CHF Peden. 2017. "Ambient-temperature NO oxidation over amorphous CrOx-ZrO2 mixed oxide catalysts: Significant promoting effect of ZrO2." Applied Catalysis B 202:706-714.  doi:10.1016/j.apcatb.2016.02.045

Wang Z, Y Wang, R Mu, Y Yoon, AP Dahal, GK Schenter, VA Glezakou, RJ Rousseau, IV Lyubinetsky, and Z Dohnalek. 2017. "Probing Equilibrium of Molecular and Deprotonated Water on TiO2(110)." Proceedings of the National Academy of Sciences of the United States of America 114(8):1801-1805.  doi:10.1073/pnas.1613756114

Zhang S, AM Appel, and RM Bullock. 2017. "Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride." Journal of the American Chemical Society 139(21):7376-7387.  doi:10.1021/jacs.7b03053

Zhang X, Y He, ML Sushko, J Liu, L Luo, JJ De Yoreo, SX Mao, C Wang, and KM Rosso. 2017. "Direction-Specific van der Waals Attraction Between Rutile TiO2 Nanocrystals." Science 356(6336):434-437.  doi:10.1126/science.aah6902

Zhao Z, H Shi, C Wan, MY Hu, Y Liu, D Mei, DM Camaioni, JZ Hu, and JA Lercher. 2017. "“On the Mechanism of Phenol Alkylation in Zeolite H-BEA Using In Situ Solid-State NMR Spectroscopy”." Journal of the American Chemical Society 139(27):9178-9185.  doi:10.1021/jacs.7b02153


Brown DML, HM Cho, and WA De Jong. 2016. "Bridging experiment and theory: a template for unifying NMR data and electronic structure calculations." Journal of Cheminformatics 8(8):1-9.  doi:10.1186/s13321-016-0120-z

Chen C, R Zuckermann, and JJ De Yoreo. 2016. "Surface-Directed Assembly of Sequence-Defined Synthetic Polymers into Networks of Hexagonally Patterned Nanoribbons with Controlled Functionalities." ACS Nano 10(5):5314-5320.  doi:10.1021/acsnano.6b01333

Chen L, RS Smith, BD Kay, and Z Dohnalek. 2016. "Adsorption of Small Hydrocarbons on Rutile TiO2(110)." Surface Science 650:83-92.  doi:10.1016/j.susc.2015.11.002

Cho HM. 2016. "Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins." Atomic Data and Nuclear Data Tables 111-112:29.40.  doi:10.1016/j.adt.2016.02.003

Dang LX, and GK Schenter. 2016. "Solvent Exchange in Liquid Methanol and Rate Theory." Chemical Physics Letters 643:142-148.  doi:10.1016/j.cplett.2015.10.045

De Yoreo JJ, and N Sommerdijk. 2016. "Investigating Processes of Materials Formation via Liquid Phase and Cryogenic TEM ." Nature Reviews: Materials 1(8):Article No. 16035.  doi:10.1038/natrevmats.2016.35

Duignan TTS, MD Baer, and CJ Mundy. 2016. "Ions Interacting in Solution: Moving from Intrinsic to Collective Properties." Current Opinion in Colloid & Interface Science 23:58-65.  doi:10.1016/j.cocis.2016.05.009

Egbert JD, LA Labios, JM Darmon, NA Piro, WS Kassel, and MT Mock. 2016. "Synthesis and Structure of Vanadium Halide Complexes Containing Diphosphine Ligands with Pendant Amines." European Journal of Inorganic Chemistry 2016(8):1293-1299.  doi:10.1002/ejic.201501477

El-Khoury PZ, AG Joly, and WP Hess. 2016. "Hyperspectral Dark Field Optical Microscopy of Single Silver Nanospheres." Journal of Physical Chemistry C 120(13):7295-7298.  doi:10.1021/acs.jpcc.6b02401

Gong Y, AG Joly, PZ El-Khoury, and WP Hess. 2016. "Enhanced Propagating Surface Plasmon Signal Detection." ACS Photonics 3(12):2413-2419.  doi:10.1021/acsphotonics.6b00636

Hou GL, B Chen, WJ Transue, D Hrovat, CC Cummins, W Borden, and XB Wang. 2016. "A joint experimental and computational study of the negative Ion photoelectron spectroscopy of 1-phospha-2,3,4-trizolate anion, HCPN3." Journal of Physical Chemistry A 120(31):6228-6235.  doi:10.1021/acs.jpca.6b06343

Hou GL, B Chen, WJ Transue, D Hrovat, CC Cummins, W Borden, and XB Wang. 2016. "Negative Ion Photoelectron Spectroscopy of P2N3- : Electron Affinity and Electronic Structures of P2N3·." Chemical Science 7(7):4667-4675.  doi:10.1039/C5SC04667J

Hou GL, LJ Li, SH Li, ZM Sun, X Gao, and XB Wang. 2016. "Regioisomer-specific electron affinities and electronic structures of C70 para-Adducts at polar and equatorial positions with (bromo)benzyl radicals: photoelectron spectroscopy and theoretical Study." Physical Chemistry Chemical Physics. PCCP 18(28):18683-18686.  doi:10.1039/c6cp03978b

Hu JZ, S Xu, JH Kwak, MY Hu, C Wan, Z Zhao, J Szanyi, X Bao, X Han, Y Wang, and CHF Peden. 2016. "High Field 27Al MAS NMR and TPD studies of active sites in ethanol dehydration using thermally treated transitional aluminas as catalysts ." Journal of Catalysis 336(1):85-93.  doi:10.1016/j.jcat.2016.01.006

Hu JZ, S Xu, JH Kwak, MY Hu, C Wan, Z Zhao, J Szanyi, X Bao, X Han, Y Wang, and CHF Peden. 2016. "High field 27Al MAS NMR and TPD studies of active sites in ethanol dehydration using thermally treated transitional aluminas as catalysts." Journal of Catalysis 336:85-93.  doi:10.1016/j.jcat.2016.01.006

Johnson GE, and J Laskin. 2016. "Understanding Ligand Effects in Gold Clusters using Mass Spectrometry." Analyst 141(12):3573-3589.  doi:10.1039/c6an00263c

Johnson GE, KDD Gunaratne, and J Laskin. 2016. "Soft- and Reactive Landing of Ions onto Surfaces: Concepts and Applications." Mass Spectrometry Reviews 35(3):439-479.  doi:10.1002/mas.21451

Johnson GE, TH Moser, MH Engelhard, ND Browning, and J Laskin. 2016. "Fabrication of electrocatalytic Ta nanoparticles by reactive sputtering and ion soft landing." Journal of Chemical Physics 145(17):Article No. 174701.  doi:10.1063/1.4966199

Laskin J, and I Lanekoff. 2016. "Ambient Mass Spectrometry Imaging Using Direct Liquid Extraction Techniques." Analytical Chemistry 88(1):52-73.  doi:10.1021/acs.analchem.5b04188

Legg BA, and JJ De Yoreo. 2016. "The Energetics of Prenucleation Clusters in Lattice Solutions." Journal of Chemical Physics 145(21):Article No. 211921.  doi:10.1063/1.4964489

Miliordos E, and SS Xantheas. 2016. "The origin of the reactivity of the Criegee intermediate: implications for atmospheric particle growth." Angewandte Chemie International Edition 55(3):1015-1019.  doi:10.1002/anie.201509685

Reback ML, B Ginovska-Pangovska, GW Buchko, A Dutta, N Priyadarshani, BL Kier, ML Helm, S Raugei, and WJ Shaw. 2016. "Investigating the role of chain and linker length on the catalytic activity of an H2 production catalyst containing a b-hairpin peptide." Journal of Coordination Chemistry 69(11-13):1730-1747.  doi:10.1080/00958972.2016.1188924

Roy S, and LX Dang. 2016. "Computer simulation of methanol exchange dynamics around cations and anions." Journal of Physical Chemistry B 120(8):1440-1445.  doi:10.1021/acs.jpcb.5b04174

Shin Y, J Tao, BW Arey, C Wang, GJ Exarhos, JJ De Yoreo, ML Sushko, and J Liu. 2016. "Double epitaxy as a paradigm for templated growth of highly ordered three-dimensional mesophase crystals." ACS Nano 10(9):8670-8675.  doi:10.1021/acsnano.6b03999

Tardiff MF, GT Bonheyo, KA Cort, TW Edgar, NJ Hess, WJ Hutton, III, EA Miller, KE Nowak, CS Oehmen, EAH Purvine, GK Schenter, and PD Whitney. 2016. "Applying the Scientific Method of Cybersecurity Research." In IEEE Symposium on Technologies for Homeland Security (HST 2016), May 10-11, 2016, Waltham, MA.  IEEE, PISCATAWAY, NJ.  doi:10.1109/THS.2016.7568886

Whittemore SM, ME Bowden, AJ Karkamkar, KK Parab, D Neiner, T Autrey, JS Ishisbashi, G Chen, SY Liu, and DA Dixon. 2016. "Blending materials composed of Boron, Nitrogen and Carbon to transform approaches to Liquid Hydrogen Stores." Dalton Transactions 45(14):6196-6203.  doi:10.1039/C5DT04276C

Wiedner ES, and RM Bullock. 2016. "Electrochemical Detection of Transient Cobalt Hydride Intermediates of Electrocatalytic Hydrogen Production." Journal of the American Chemical Society 138(26):8309-8318.  doi:10.1021/jacs.6b04779

Wiedner ES, HJ Brown, and ML Helm. 2016. "Kinetic Analysis of Competitive Electrocatalytic Pathways: New Insights into Hydrogen Production with Nickel Electrocatalysts." Journal of the American Chemical Society 138(2):604-616.  doi:10.1021/jacs.5b10853

Xu Y, NG Petrik, RS Smith, BD Kay, and GA Kimmel. 2016. "Growth rate of crystalline ice and the diffusivity of supercooled water from 126 to 262 K." Proceedings of the National Academy of Sciences of the United States of America 113(52):14921-14925.  doi:10.1073/pnas.1611395114

Yuan C, RS Smith, and BD Kay. 2016. "Surface and Bulk Crystallization of Amorphous Solid Water Films: Confirmation of “Top-Down” Crystallization." Surface Science 652:350-354.  doi:10.1016/j.susc.2015.12.037

Miliordos E, E Apra, and SS Xantheas. 2016. "A New, Dispersion - Driven Intermolecular Arrangement for the Benzene -Water Octamer Complex: Isomers and Analysis of their Vibrational Spectra." Journal of Chemical Theory and Computation 12(8):4004-4014.  doi:10.1021/acs.jctc.6b00668

Abellan Baeza P, LR Parent, NM Al Hasan, C Park, I Arslan, AM Karim, JE Evans, and ND Browning. 2016. "Gaining Control over Radiolytic Synthesis of Uniform Sub-3-nanometer Palladium Nanoparticles: Use of Aromatic Liquids in the Electron Microscope." Langmuir 32(6):1468-1477.  doi:10.1021/acs.langmuir.5b04200

Alexander JM, DM Bell, D Imre, P Kleiber, VH Grassian, and A Zelenyuk. 2016. "Measurement of Size-dependent Dynamic Shape Factors of Quartz Particles in Two Flow Regimes." Aerosol Science and Technology 50(8):870-879.  doi:10.1080/02786826.2016.1200006

Alexopoulos K, MS Lee, Y Liu, Y Zhi, Y Liu, MF Reyniers, GB Marin, VA Glezakou, RJ Rousseau, and JA Lercher. 2016. "Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy and Adsorption Free Energy of Ethanol in H-ZSM-5." Journal of Physical Chemistry C 120(13):7172-7182.  doi:10.1021/acs.jpcc.6b00923

Arsenault EA, DA Obenchain, YJ Choi, TA Blake, SA Cooke, and SE Novick. 2016. "A Study of 2-Iodobutane by Rotational Spectroscopy." Journal of Physical Chemistry A 120(36):7145-7151.  doi:10.1021/acs.jpca.6b06938

Asthagiri A, DA Dixon, Z Dohnalek, BD Kay, JA Rodriquez, RJ Rousseau, D Stacchiola, and JF Weaver. 2016. "Catalytic Chemistry on Oxide Nanostructures." In Oxide Materials at the Two-Dimensional Limit. Springer Series in Materials Science, vol. 234, ed. FP Netzer and A Fortunelli, pp. 251-280.  Springer International, Cham, Switzerland. 

Baer MD, and CJ Mundy. 2016. "Local Aqueous Solvation Structure Around Ca2+ During Ca2+---Cl- Pair Formation." Journal of Physical Chemistry B 120(8):1885-1893.  doi:10.1021/acs.jpcb.5b09579

Beiswenger TN, TL Myers, CS Brauer, YF Su, TA Blake, AB Ertel, RG Tonkyn, JE Szecsody, TJ Johnson, M Smith, and C Lanker. 2016. "Experimental Effects on IR Reflectance Spectra: Particle Size and Morphology." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XXII, April 17, 2016, Baltimore, Maryland. Proceedings of the SPIE, vol. 9840, ed. M Velez-Reyes and DW Messinger, p. Paper No. 98400I.  SPIE, Bellingham, WA.  doi:10.1117/12.2223909

Beletskiy EV, XB Wang, and SR Kass. 2016. "Anion Binding of One-, Two-, and Three-Armed Thiourea Receptors Examined via Photoelectron Spectroscopy and Quantum Computations." Journal of Physical Chemistry A 120(42):8309-8316.  doi:10.1021/acs.jpca.6b08438

Berg LK, JD Fast, JC Barnard, S Burton, B Cairns, D Chand, JM Comstock, S Dunagan, RA Ferrare, CJ Flynn, J Hair, CA Hostetler, JM Hubbe, A Jefferson, R Johnson, EI Kassianov, CD Kluzek, P Kollias, K Lamer, K Lantz, F Mei, MA Miller, J Michalsky, I Ortega, MS Pekour, R Rogers, P Russell, J Redemann, A Sedlacek, M Segal Rozenhaimer, B Schmid, JE Shilling, Y Shinozuka, SR Springston, JM Tomlinson, M Tyrrell, J Wilson, RM Volkamer, A Zelenyuk, and CM Berkowitz. 2016. "The Two-Column Aerosol Project: Phase I - Overview and Impact of Elevated Aerosol Layers on Aerosol Optical Depth." Journal of Geophysical Research. D. (Atmospheres) 121(1):336-361.  doi:10.1002/2015JD023848

Berto TF, KE Sanwald, JP Byers, ND Browning, OY Gutierrez, and JA Lercher. 2016. "Enabling Overall Water Splitting on Photocatalysts by CO-Covered Noble Metal Co-catalysts." Journal of Physical Chemistry Letters 7(21):4358-4362.  doi:10.1021/acs.jpclett.6b02151

Bligaard T, RM Bullock, CT Campbell, J Chen, BC Gates, RJ Gorte, CW Jones, WD Jones, JR Kitchin, and SL Scott. 2016. "Towards Benchmarking in Catalysis Science: Best Practices, Challenges, and Opportunities." ACS Catalysis 6(4):2590-2602.  doi:10.1021/acscatal.6b00183

Borin VA, SM Matveev, DS Budkina, PZ El-Khoury, and AN Tarnovsky. 2016. "Direct photoisomerization of CH2I2 vs CHBr3 in the gas phase: a joint 50 fs experimental and multireference resonance-theoretical study." Physical Chemistry Chemical Physics. PCCP 18(41):28883-28892.  doi:10.1039/c6cp05129d

Brooks KP, ME Bowden, AJ Karkamkar, AY Houghton, and T Autrey. 2016. "Coupling of Exothermic and Endothermic Hydrogen Storage Materials." Journal of Power Sources 324:170-178.  doi:10.1016/j.jpowsour.2016.05.067

Callini E, ZO Kocabas, BC Hauback, S Orimo, CM Jensen, M Domheim, D Grant, YW Cho, P Chen, B Hjorvarsson, P De Jongh, C Weidenthaler, M Baricco, M Paskevicius, TR Jensen, ME Bowden, T Autrey, and A Zuttel. 2016. "Complex And Liquid Hydrides For Energy Storage." Applied Physics A, Materials Science and Processing 122(4):Article No. 353.  doi:10.1007/s00339-016-9881-5

Cantu Cantu D, JT Lee, MS Lee, DJ Heldebrant, PK Koech, CJ Freeman, RJ Rousseau, and VA Glezakou. 2016. "Dynamic Acid/Base Equilibrium in Single Component Switchable Ionic Liquids and Consequences on Viscosity." Journal of Physical Chemistry Letters 7(9):1646-1652.  doi:10.1021/acs.jpclett.6b00395

Cappa C, KR Kolesar, X Zhang, DB Atkinson, MS Pekour, RA Zaveri, A Zelenyuk, and Q Zhang. 2016. "Understanding the Optical Properties of Ambient Sub- and Supermicron Particulate Matter: Results from the CARES 2010 Field Study in Northern California." Atmospheric Chemistry and Physics 16(10):6511-6535.  doi:10.5194/acp-16-6511-2016

Cardenas AJ, B Ginovska-Pangovska, N Kumar, J Hou, S Raugei, ML Helm, AM Appel, RM Bullock, and MJ O'Hagan. 2016. "Controlling Proton Delivery with Catalyst Structural Dynamics." Angewandte Chemie International Edition 55(43):13509-13513.  doi:10.1002/anie.201607460

Castro KP, TT Clikeman, NJ DeWeerd, EV Bukovsky, KC Rippy, IV Kuvychko, GL Hou, YS Chen, XB Wang, SH Strauss, and OV Boltalina. 2016. "Incremental Tuning Up of Fluorous Phenazine Acceptors." Chemistry - A European Journal 22(12):3930-3936.  doi:10.1002/chem.201504122

Chen HY, Z Wei, M Kollar, F Gao, Y Wang, J Szanyi, and CHF Peden. 2016. "NO oxidation on Zeolite Supported Cu Catalysts: Formation and Reactivity of Surface Nitrates." Catalysis Today 267:17-27.  doi:10.1016/j.cattod.2015.11.039

Cochran RE, O Laskina, T Jayarathne, A Laskin, J Laskin, P Lin, CM Sultana, C Lee, KA Moore, C Cappa, T Bertram, K Prather, VH Grassian, and E Stone. 2016. "Analysis of Organic Anionic Surfactants in Fine and Coarse Fractions of Freshly Emitted Sea Spray Aerosol." Environmental Science & Technology 50(5):2477-2486.  doi:10.1021/acs.est.5b04053

Cornish AJ, B Ginovska-Pangovska, A Thelen, JC Da Silva, TA Soares, S Raugei, M Dupuis, WJ Shaw, and EL Hegg. 2016. "Single Amino Acid Modifications Reveal Additional Controls on the Proton Pathway of [FeFe]-hydrogenase." Biochemistry 55(22):3165-3173.  doi:10.1021/acs.biochem.5b01044

Daily MD, MD Baer, and CJ Mundy. 2016. "Divalent Ion Parameterization Strongly Affects Conformation and Interactions of an Anionic Biomimetic Polymer." Journal of Physical Chemistry B 120(9):2198-2208.  doi:10.1021/acs.jpcb.5b12277

Danyal K, S Shaw, TR Page, SS Duval, M Horitani, AR Marts, D Lukoyanov, DR Dean, S Raugei, LC Seefeldt, and E Antony. 2016. "Negative cooperativity in the nitrogenase Fe protein electron delivery cycle." Proceedings of the National Academy of Sciences of the United States of America 113(40):E5783-E5791.  doi:10.1073/pnas.1613089113

Devaraj A, V Murugesan, J Bao, MF Guo, MA Derewinski, Z Xu, MJ Gray, S Prodinger, and KK Ramasamy. 2016. "Discerning the Location and Nature of Coke Deposition from Surface to Bulk of Spent Zeolite Catalysts." Scientific Reports 6:Article No. 37586.  doi:10.1038/srep37586

Du Y, G Li, EW Peterson, J Zhou, X Zhang, R Mu, Z Dohnalek, ME Bowden, I Lyubinetsky, and SA Chambers. 2016. "Iso-oriented monolayer a-MoO3(010) films epitaxially grown on SrTiO3(001)." Nanoscale 8(5):3119-3124.  doi:10.1039/C5NR07745A

Dutta A, B Ginovska-Pangovska, S Raugei, JA Roberts, and WJ Shaw. 2016. "Optimizing Conditions for Utilization of an H2 Oxidation Catalyst with Outer Coordination Sphere Functionalities." Dalton Transactions 45(24):9786-9793.  doi:10.1039/C6DT00280C

El-Khoury PZ, P Abellan Baeza, Y Gong, FS Hage, J Cottom, AG Joly, R Brydson, QM Ramasse, and WP Hess. 2016. "Visualizing Surface Plasmons with Photons, Photoelectrons, and Electrons." Analyst 141(12):3562-3572.  doi:10.1039/c6an00308g

El-Khoury PZ, P Abellan, RL Chantry, Y Gong, AG Joly, IV Novikova, JE Evans, E Apra, D Hu, QM Ramasse, and WP Hess. 2016. "The information content in single-molecule Raman nanoscopy." Advances in Physics: X 1(1):35-54.  doi:10.1080/23746149.2016.1140010

Erickson BA, X Ju, JW Nibler, CM Beaudry, and TA Blake. 2016. "High-Resolution Infrared Studies of Perdeutero-Spiropentane, C5D8." Journal of Molecular Spectroscopy 325:13-19.  doi:10.1016/j.jms.2016.05.003

Fast JD, LK Berg, K Zhang, RC Easter, Jr, RA Ferrare, J Hair, CA Hostetler, Y Liu, I Ortega, A Sedlacek, JE Shilling, MKB Shrivastava, SR Springston, JM Tomlinson, RM Volkamer, JM Wilson, RA Zaveri, and A Zelenyuk-Imre. 2016. "Model Representations of Aerosol Layers Transported from North America over the Atlantic Ocean during the Two-Column Aerosol Project." Journal of Geophysical Research. D. (Atmospheres) 121(16):9814-9848.  doi:10.1002/2016JD025248

Fischer SA, TW Ueltschi, PZ El-Khoury, AL Mifflin, WP Hess, H Wang, CJ Cramer, and N Govind. 2016. "Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C-H Region of DMSO as a Case Study." Journal of Physical Chemistry B 120(8):1429-1436.  doi:10.1021/acs.jpcb.5b03323

Gackowski M, E Bielanska, K Szczepanowicz, P Warszynski, and MA Derewinski. 2016. "Deposition of zeolite nanoparticles onto porous silica monolith." Surface Innovations 4(2):88-101.  doi:10.1680/jsuin.15.00023

Gao F, J Szanyi, Y Wang, B Schwenzer, M Kollar, and CHF Peden. 2016. "Hydrothermal aging effects on Fe/SSZ-13 and Fe/beta NH3-SCR catalysts." Topics in Catalysis 59(10):882-886.  doi:10.1007/s11244-016-0563-5

Gao F, J Szanyi, Y Wang, Y Wang, CHF Peden, K Howden, N Currier, K Kamasamudram, A Kumar, J Li, RJ Stafford, and A Yezerets. 2016. Final Report of a CRADA Between Pacific Northwest National Laboratory and Cummins, Incorporated (CRADA No.PNNL/283): “Enhanced High and Low Temperature Performance of NOx Reduction Catalyst Materials”PNNL-25688, Pacific Northwest National Laboratory, Richland, WA. 

Gao F, Y Zheng, RK Kukkadapu, Y Wang, ED Walter, B Schwenzer, J Szanyi, and CHF Peden. 2016. "Iron loading effects in Fe/SSZ-13 NH3-SCR catalysts: nature of the Fe-ions and structure-function relationships ." ACS Catalysis 6(5):2939-2954.  doi:10.1021/acscatal.6b00647

Ginovska-Pangovska B, S Raugei, and WJ Shaw. 2016. "Molecular Dynamics Studies of Proton Transport in Hydrogenase and Hydrogenase Mimics." Chapter 4 in Methods in Enzymology: Computational Approaches for Studying Enzyme Mechanism Part B, vol. 578, ed. GA Voth, pp. 73-101.  Academic Press, CAMBRIDGE, MA.  doi:10.1016/bs.mie.2016.05.044

Gunaratne KDD, V Prabhakaran, A Andersen, GE Johnson, and J Laskin. 2016. "Charge Retention of Soft-Landed Phosphotungstate Keggin Anions on Self-Assembled Monolayers." Physical Chemistry Chemical Physics. PCCP 18(13):9021-9028.  doi:10.1039/C5CP06954H

Halliday MT, WP Hess, and AL Shluger. 2016. "A mechanism of Cu work function reduction in CsBr/Cu photocathodes." Physical Chemistry Chemical Physics. PCCP 18(10):7427-7434.  doi:10.1039/c5cp07694c

Henderson MA, AP Dahal, Z Dohnalek, and IV Lyubinetsky. 2016. "Strong temperature dependence in the reactivity of H2 on RuO2(110)." Journal of Physical Chemistry Letters 7(15):2967-2970.  doi:10.1021/acs.jpclett.6b01307

Henderson MA, R Mu, AP Dahal, I Lyubinetsky, Z Dohnalek, VA Glezakou, and RJ Rousseau. 2016. "Light Makes a Surface Banana-bond Split: Photodesorption of Molecular Hydrogen from RuO2(110)." Journal of the American Chemical Society 138(28):8714-8717.  doi:10.1021/jacs.6b05083

Hinks ML, MV Brady, H Lignell, M Song, JW Grayson, AK Bertram, P Lin, A Laskin, J Laskin, and S Nizkorodov. 2016. "Effect of viscosity on photodegradation rates in complex secondary organic aerosol materials." Physical Chemistry Chemical Physics. PCCP 18(13):8785-8793.  doi:10.1039/C5CP05226B

Hiranuma N, O Mohler, GR Kulkarni, M Schnaiter, S Vogt, P Vochezer, E Jarvinen, R Wagner, DM Bell, JM Wilson, A Zelenyuk-Imre, and DJ Cziczo. 2016. "Development and characterization of an ice-selecting pumped counterflow virtual impactor (IS-PCVI) to study ice crystal residuals." Atmospheric Measurement Techniques 9(8):3817-3836.  doi:10.5194/amt-9-3817-2016

Hou GL, M Valiev, and XB Wang. 2016. "Deprotonated Dicarboxylic Acid Homodimers: Hydrogen Bonds and Atmospheric Implications." Journal of Physical Chemistry A 120(15):2342-2349.  doi:10.1021/acs.jpca.6b01166

Hou GL, XT Kong, M Valiev, L Jiang, and XB Wang. 2016. "Probing the Early Stages of Solvation of cis-Pinate Dianions by Water, Acetonitrile, and Methanol: A Photoelectron Spectroscopy and Theoretical Study." Physical Chemistry Chemical Physics. PCCP 18(5):3628-3637.  doi:10.1039/C5CP05974G

Hrovat D, GL Hou, B Chen, XB Wang, and W Borden. 2016. "Negative Ion Photoelectron Spectroscopy Confirms the Prediction that D-3h Carbontrioxide (CO3) Has a Singlet Ground State ." Chemical Science 7(2):1142-1150.  doi:10.1039/c5sc03542b

Hu Q, and J Laskin. 2016. "Secondary Structures of Ubiquitin Ions Soft-Landed onto Self-Assembled Monolayer Surfaces ." Journal of Physical Chemistry B 120(22):4927-4936.  doi:10.1021/acs.jpcb.6b02448

Iwata S, D Akase, M Aida, and SS Xantheas. 2016. "Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)n, n = 8, 20 and 24." Physical Chemistry Chemical Physics. PCCP 18(29):19746-19756.  doi:10.1039/C6CP02487D

Jiao F, Y Chen, H Jin, P He, C Chen, and JJ De Yoreo. 2016. "Self-repair and Patterning of 2D Membrane-like Peptoid Materials." Advanced Functional Materials 26(48):8960-8967.  doi:10.1002/adfm.201602365

Jin H, F Jiao, MD Daily, Y Chen, F Yan, Y Ding, X Zhang, EJ Robertson, MD Baer, and C Chen. 2016. "Highly stable and self-repairing membrane-mimetic 2D nanomaterials assembled from lipid-like peptoids." Nature Communications 7:12252.  doi:10.1038/ncomms12252

Kim B, Z Dohnalek, J Szanyi, BD Kay, and YK Kim. 2016. "Temperature-programmed Desorption Study of NO Reactions on Rutile TiO2(110)-1x1." Surface Science 652:148-155.  doi:10.1016/j.susc.2016.01.032

Kulkarni GR, S China, S Liu, MI Nandasiri, N Sharma, JM Wilson, AC Aiken, D Chand, A Laskin, C Mazzoleni, MS Pekour, JE Shilling, V Shutthanandan, A Zelenyuk, and RA Zaveri. 2016. "Ice nucleation activity of diesel soot particles at Cirrus relevant conditions: Effects of hydration, secondary organics coating, hydration, soot morphology, and coagulation." Geophysical Research Letters 43(7):3580-3588.  doi:10.1002/2016GL068707

Kwak JH, J Lee, J Szanyi, and CHF Peden. 2016. "Modification of the acid/base properties of ?-Al2O3 by oxide additives: An ethanol TPD investigation." Catalysis Today 265:240-244.  doi:10.1016/j.cattod.2015.07.042

Lanekoff I, J Cha, JE Kyle, SK Dey, J Laskin, and KE Burnum-Johnson. 2016. "Trp53 deficient mice predisposed to preterm birth display region-specific lipid alterations at the embryo implantation site." Scientific Reports 6:Article No. 33023.  doi:10.1038/srep33023

Lao D, BR Galan, JC Linehan, and DJ Heldebrant. 2016. "The steps of activating a prospective CO2 hydrogenation catalyst with combined CO2 capture and reduction." Green Chemistry 18(18):4871-4874.  doi:10.1039/C6GC01800A

Laskin J, GE Johnson, and V Prabhakaran. 2016. "Soft Landing of Complex Ions for Studies in Catalysis and Energy Storage." Journal of Physical Chemistry C 120(41):23305-23322.  doi:10.1021/acs.jpcc.6b06497

Lebarbier VM, RA Dagle, L Kovarik, A Genc, Y Wang, ME Bowden, H Wan, MD Flake, VA Glezakou, DL King, and RJ Rousseau. 2016. "Steam Reforming of Hydrocarbons from Biomass-Derived Syngas over MgAl2O4-Supported Transition Metals and Bimetallic IrNi Catalysts." Applied Catalysis. B, Environmental 184:142-152.  doi:10.1016/j.apcatb.2015.11.022

Lee MS, W Um, G Wang, AA Kruger, WW Lukens, RJ Rousseau, and VA Glezakou. 2016. "Impeding 99Tc(IV) mobility in novel waste forms." Nature Communications 7:Article No. 12067.  doi:10.1038/ncomms12067

Li Z, N Schweitzer, A League, SV Bernales Candia, A Peters, AG Getsoian, T Wang, JT Miller, A Vjunov, JL Fulton, JA Lercher, CJ Cramer, L Gagliardi, J Hupp, and O Farha. 2016. "Sintering-resistant Single-Site Nickel Catalyst Supported by Metal-Organic Framework." Journal of the American Chemical Society 138(6):1977-1982.  doi:10.1021/jacs.5b12515

Lin P, PK Aiona, Y Li, M Shiraiwa, J Laskin, S Nizkorodov, and A Laskin. 2016. "Molecular Characterization of Brown Carbon in Biomass Burning Aerosol Particles." Environmental Science & Technology 50(21):11815-11824.  doi:10.1021/acs.est.6b03024

Lindenmaier R, NM Tipton, RL Sams, CS Brauer, TA Blake, SD Williams, and TJ Johnson. 2016. "Assignment of the Fundamental Modes of Hydroxyacetone Using Gas-Phase Infrared, Far-Infrared, Raman and ab Initio Methods: Band Strengths for Atmospheric Measurements." Journal of Physical Chemistry A 120(30):5993-3003.  doi:10.1021/acs.jpca.6b05045

Lindley BM, AM Appel, K Krogh-Jespersen, JM Mayer, and AJ Miller. 2016. "Evaluating the Thermodynamics of Electrocatalytic N2 Reduction in Acetonitrile." ACS Energy Letters 1(4):698-704.  doi:10.1021/acsenergylett.6b00319

Liu J, P Lin, A Laskin, J Laskin, SM Kathmann, ME Wise, R Caylor, F Imholt, V Selimovic, and JE Shilling. 2016. "Optical Properties and Aging of Light Absorbing Secondary Organic Aerosol." Atmospheric Chemistry and Physics 16(19):12815-12827.  doi:10.5194/acp-16-12815-2016

Liu X, GL Hou, XB Wang, and X Wang. 2016. "Negative Ion Photoelectron Spectroscopy Reveals Remarkable Noninnocence of Ligands in Nickel Bis(dithiolene) Complexes [Ni(dddt)2]- and [Ni(edo)2]-." Journal of Physical Chemistry A 120(18):2854-2862.  doi:10.1021/acs.jpca.6b02711

Moore JS, SS Xantheas, JW Grate, TW Wietsma, E Gratton, and A Vasdekis. 2016. "Modular Polymer Biosensors by Solvent Immersion Imprint Lithography." Journal of Polymer Science. Part B, Polymer Physics 54(1):98-103.  doi:10.1002/polb.23961

Petrik NG, GA Kimmel, M Shen, and MA Henderson. 2016. "Quenching of Electron Transfer Reactions through Coadsorption: A Study of Oxygen Photodesorption from TiO2(110)." Surface Science 652:183-188.  doi:10.1016/j.susc.2015.12.038

Pham VT, and JL Fulton. 2016. "High-resolution measurement of contact ion-pair structures in aqueous RbCl solutions from the simultaneous corefinement of their Rb and Cl K-edge XAFS and XRD spectra." Journal of Solution Chemistry 45(7):1061-1070.  doi:10.1007/s10953-016-0487-5

Pluharova E, MD Baer, GK Schenter, P Jungwirth, and CJ Mundy. 2016. "Dependence of the rate of LiF ion pairing on the description of molecular interaction." Journal of Physical Chemistry B 120(8):1749-1758.  doi:10.1021/acs.jpcb.5b09344

Prabhakaran V, GE Johnson, B Wang, and J Laskin. 2016. "In situ solid-state electrochemistry of mass selected ions at well-defined electrode-electrolyte interfaces." Proceedings of the National Academy of Sciences of the United States of America 113(47):13324-13329.  doi:10.1073/pnas.1608730113

Prabhakaran V, BL Mehdi, JJ Ditto, MH Engelhard, B Wang, KDD Gunaratne, DC Johnson, ND Browning, GE Johnson, and J Laskin. 2016. "Rational Design of Efficient Electrode-Electrolyte Interfaces for Solid-State Energy Storage Using Ion Soft-Landing." Nature Communications 7:Article No. 11399.  doi:10.1038/ncomms11399

Pratihar S, GL Barnes, J Laskin, and WL Hase. 2016. "Dynamics of Protonated Peptide Ion Collisions with Organic Surfaces: Consonance of Simulation and Experiment." Journal of Physical Chemistry Letters 7(16):3142-3150.  doi:10.1021/acs.jpclett.6b00978

Priyadarshani N, A Dutta, B Ginovska-Pangovska, GW Buchko, MJ O'Hagan, S Raugei, and WJ Shaw. 2016. "Achieving Reversible H2/H+ Interconversion at Room Temperature with Enzyme-Inspired Molecular Complexes: A Mechanistic Study." ACS Catalysis 6(9):6037-6049.  doi:10.1021/acscatal.6b01433

Prodinger S, VRS Vemuri, T Varga, BP McGrail, RK Motkuri, and MA Derewinski. 2016. "Impact of chabazite SSZ-13 textural properties and chemical composition on CO2 adsorption applications." New Journal of Chemistry 40(5):4375-4385.  doi:10.1039/C5NJ03205A

Prodinger S, MA Derewinski, A Vjunov, SD Burton, I Arslan, and JA Lercher. 2016. "Improving Stability of Zeolites in Aqueous Phase via Selective Removal of Structural Defects." Journal of the American Chemical Society 138(13):4408-4415.  doi:10.1021/jacs.5b12785

Pruski M, A Sadow, I Slowing, CL Marshall, P Stair, JA Rodriguez, A Harris, GA Somorjai, J Biener, C Matranga, C Wang, J Schaidle, GT Beckham, D Ruddy, T Deutsch, S Alia, C Narula, SH Overbury, TJ Toops, RM Bullock, CHF Peden, Y Wang, MD Allendorf, JK Norskov, and T Bligaard. 2016. "Virtual Special Issue on Catalysis at the U.S. Department of Energy's Laboratories." ACS Catalysis 6(5):3227-3235.  doi:10.1021/acscatal.6b00823

Pruski M, A Sadow, I Slowing, CL Marshall, PC Stair, JA Rodriguez, A Harris, GA Somorjai, J Biener, C Matranga, C Wang, J Schaidle, GT Beckham, DA Ruddy, T Deutsch, S Alia, C Narula, SH Overbury, TJ Toops, RM Bullock, CHF Peden, Y Wang, MD Allendorf, JK Norskov, and T Bligaard. 2016. "Virtual Special Issue on Catalysis at the U.S. Department of Energy’s National Laboratories." ACS Catalysis 6(5):3227-3235.  doi:10.1021/acscatal.6b00823

Qin Z, GL Hou, Z Yang, M Valiev, and XB Wang. 2016. "Negative ion photoelectron spectra of ISO3-, IS2O3-, and IS2O4- intermediates formed in interfacial reactions of ozone and iodide/sulfite aqueous microdroplets." Journal of Chemical Physics 145(21):4969076.  doi:10.1063/1.4969076

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Riva MN, DM Bell, AMK Hansen, GT Droza, Z Zhang, A Gold, D Imre, JD Surratt, M Glasius, and A Zelenyuk. 2016. "Effect of Organic Coatings, Humidity and Aerosol Acidity on Multiphase Chemistry of Isoprene Epoxydiols." Environmental Science & Technology 50(11):5580-5588.  doi:10.1021/acs.est.5b06050

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Shan B, AK Das, S Marquard, BH Farnum, D Wang, RM Bullock, and TJ Meyer. 2016. "Photogeneration of Hydrogen from Water by a Robust Dye-Sensitized Photocathode." Energy and Environmental Science 9(12):3693-3697.  doi:10.1039/C6EE02903E

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Shrivastava MKB, C Zhao, RC Easter, Jr, Y Qian, A Zelenyuk, JD Fast, Y Liu, Q Zhang, and AB Guenther. 2016. "Sensitivity Analysis of simulated SOA loadings using a Variance-Based Statistical Approach." Journal of Advances in Modeling Earth Systems 8(2):499-519.  doi:10.1002/2015MS000554

Singh N, Y Song, OY Gutierrez, DM Camaioni, CT Campbell, and JA Lercher. 2016. "Electrocatalytic Hydrogenation of Phenol over Platinum and Rhodium: Unexpected Temperature Effects Resolved." ACS Catalysis 6(11):7466-7470.  doi:10.1021/acscatal.6b02296

Skinner LB, M Galib, JL Fulton, CJ Mundy, JB Parise, VT Pham, GK Schenter, and CJ Benmore. 2016. "The structure of liquid water up to 360 MPa from x-ray diffraction measurements using a high Q-range and from molecular simulation ." Journal of Chemical Physics 144(13):134504.  doi:10.1063/1.4944935

Smith MW, I Dallmeyer, TJ Johnson, CS Brauer, JS McEwen, JF Espinal, and M Garcia-Perez. 2016. "Structural Analysis of Char by Raman Spectroscopy: Improving Band Assignments through Computational Calculations from First Principles." Carbon 100:678-692.  doi:10.1016/j.carbon.2016.01.031

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Song Y, SH Chia, U Sanyal, OY Gutierrez, and JA Lercher. 2016. "Integrated catalytic and electrocatalytic conversion of substituted phenols and diaryl ethers." Journal of Catalysis 344:263-272.  doi:10.1016/j.jcat.2016.09.030

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Wan C, MY Hu, NR Jaegers, D Shi, H Wang, F Gao, Z Qin, Y Wang, and JZ Hu. 2016. "Investigating the Surface Structure of ?-Al2O3 Supported WOx Catalysts by High-Field 27Al MAS NMR and Electronic Structure Calculations." Journal of Physical Chemistry C 120(40):23093-23103.  doi:10.1021/acs.jpcc.6b09060

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Willow SY, XC Zeng, SS Xantheas, KS Kim, and S Hirata. 2016. "Why is MP2-Water "Cooler" and "Denser" than DFT-Water?" Journal of Physical Chemistry Letters 7(4):680-684.  doi:10.1021/acs.jpclett.5b02430

Wolke CT, JA Fournier, E Miliordos, SM Kathmann, SS Xantheas, and MA Johnson. 2016. "Isotopomer-selective spectra of a single intact H2O molecule in the Cs+(D2O)5H2O isotopologue: Going beyond pattern recognition to harvest the structural information encoded in vibrational spectra ." Journal of Chemical Physics 144(7):074305.  doi:10.1063/1.4941285

Xiang Y, and NH Kruse. 2016. "Tuning the catalytic CO hydrogenation to straight- and long-chaim aldehydes/alcohols and olefins/paraffins." Nature Communications 7:13058.  doi:10.1038/ncomms13058

Xu Y, CJ Dibble, NG Petrik, RS Smith, AG Joly, RG Tonkyn, BD Kay, and GA Kimmel. 2016. "A nanosecond pulsed laser heating system for studying liquid and supercooled liquid films in ultrahigh vacuum." Journal of Chemical Physics 144(16):Article No. 164201.  doi:10.1063/1.4947304

Xu Y, CJ Dibble, NG Petrik, RS Smith, BD Kay, and GA Kimmel. 2016. "Complete wetting of Pt(111) by nanoscale liquid water films." Journal of Physical Chemistry Letters 7(3):541-547.  doi:10.1021/acs.jpclett.5b02748

Yu L, J Smith, A Laskin, K George, CN Anastasio, J Laskin, AM Dillner, and Q Zhang. 2016. "Molecular transformations of phenolic SOA during photochemical aging in the aqueous phase: competition among oligomerization, functionalization, and fragmentation." Atmospheric Chemistry and Physics 16(7):4511-4527.  doi:10.5194/acp-16-4511-2016

Yu X, Z Zhang, C Yang, F Bebensee, S Heibler, A Nefedov, M Tang, Q Ge, L Chen, BD Kay, Z Dohnalek, Y Wang, and C Woll. 2016. "Interaction of Formaldehyde with the Rutile TiO2(110) Surface: A Combined Experimental and Theoretical Study." Journal of Physical Chemistry C 120(23):12626-12636.  doi:10.1021/acs.jpcc.6b03689

Zachara JM, X Chen, CJ Murray, and G Hammond. 2016. "River Stage Influences on Uranium Transport in a Hydrologically Dynamic Groundwater-Surface Water Transition Zone." Water Resources Research 52(3):1568-1590.  doi:10.1002/2015WR018009

Zachara JM, JJ Moran, CT Resch, SR Lindemann, AR Felmy, ME Bowden, AB Cory, and JK Fredrickson. 2016. "Geo- and Biogeochemical Processes in a Heliothermal Hypersaline Lake." Geochimica et Cosmochimica Acta 181:144-163.  doi:10.1016/j.gca.2016.02.001

Zachara JM, SL Brantley, JD Chorover, RP Ewing, SN Kerisit, C Liu, E Perfect, G Rother, and AG Stack. 2016. "Internal Domains of Natural Porous Media Revealed: Critical Locations for Transport, Storage, and Chemical Reaction." Environmental Science & Technology 50(6):2811-2829.  doi:10.1021/acs.est.5b05015

Zamora LM, R Kahn, MJ Cubison, GS Diskin, JL Jimenez, Y Kondo, G McFarquhar, A Nenes, KL Thornhill, A Wisthaler, A Zelenyuk, and LD Ziemba. 2016. "Aircraft-measured indirect cloud effects from biomass burning smoke in the Arctic and subarctic." Atmospheric Chemistry and Physics 16(2):715-738.  doi:10.5194/acp-16-715-2016

Zhang R, J Szanyi, F Gao, and JS McEwen. 2016. "The interaction of reactants, intermediates and products with Cu ions in Cu-SSZ-13 NH3 SCR catalysts: an energetic and ab initio X-ray absorption modeling study." Catalysis Science & Technology 6(15):5812-5829.  doi:10.1039/c5cy02252e

Zhang S, H Li, AM Appel, MB Hall, and RM Bullock. 2016. "Facile P-C/C-H Bond Cleavage Reactivity of Nickel Bis(diphosphine) Complexes." Chemistry - A European Journal 22(28):9493-9497.  doi:10.1002/chem.201601469


Annapureddy HVR, SK Nune, RK Motkuri, BP McGrail, and LX Dang. 2015. "A Combined Experimental and Computational Study on the Stability of Nanofluids Containing Metal Organic Frameworks." Journal of Physical Chemistry B 119(29):8992-8999.  doi:10.1021/jp5079086

Arslan I, JD Roehling, I Ogina, KJ Batenburg, SI Zones, BC Gates, and A Katz. 2015. "Genesis of Delaminated-Zeolite Morphology: 3-D Characterization of Changes by STEM Tomography." Journal of Physical Chemistry Letters 6(13):2598-2602.  doi:10.1021/acs.jpclett.5b01004

Brauer CS, TJ Johnson, TL Myers, YF Su, TA Blake, and BM Forland. 2015. "Effects of Sample Preparation on the Infrared Reflectance Spectra of Powders." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XVI, April 20, 2015, Baltimore, Maryland. Proceedings of the SPIE, vol. 9455, p. Article No. 945505.  SPIE, Bellingham, WA.  doi:10.1117/12.2179736

Buchko GW, and WJ Shaw. 2015. "Improved protocol to purify untagged amelogenin - Application to murine amelogenin containing the equivalent P70 ? T point mutation observed in human amelogenesis imperfecta." Protein Expression and Purification 105(1):14-22.  doi:10.1016/j.pep.2014.09.020

Chun J, CJ Mundy, and GK Schenter. 2015. "The Role of Solvent Heterogeneity in Determining the Dispersion Interaction Between Nanoassemblies ." Journal of Physical Chemistry B 119(18):5873-5881.  doi:10.1021/jp512550c

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De Yoreo JJ, PU Gilbert, N Sommerdijk, RL Penn, SB Whitelam, D Joester, H Zhang, JD Rimer, A Navrotsky, JF Banfield, AF Wallace, FM Michel, FC Meldrum, H Colfen, and PM Dove. 2015. "Crystallization by Particle Attachment in Synthetic, Biogenic, and Geologic Environments." Science 349(6247):Article No. aaa6760.  doi:10.1126/science.aaa6760

Deng S, X Kong, and XB Wang. 2015. "Probing the early stages of salt nucleation-experimental and theoretical investigations of sodium/potassium thiocyanate cluster anions." Journal of Chemical Physics 142(2):Article No. 024313.  doi:10.1063/1.4905266

Gong Y, AG Joly, D Hu, PZ El-Khoury, and WP Hess. 2015. "Ultrafast Imaging of Surface Plasmons Propagating on a Gold Surface." Nano Letters 15(5):3472-3478.  doi:10.1021/acs.nanolett.5b00803

Gong Y, AG Joly, PZ El-Khoury, and WP Hess. 2015. "Efficient Coupling and Transport of a Surface Plasmon at 780 nm in a Gold Nanostructure." In Plasmonics: Metallic Nanostructures and Their Optical Properties XIII, August 9, 2015, San Diego, California. Proceedings of the SPIE, vol. 9547, ed. AD Boardman and DP Tsai, p. Paper No. 95470H.  SPIE, the International Society for Optics and Photonics, Bellingham, WA.  doi:10.1117/12.2190449

Hu JZ, S Xu, W Li, MY Hu, X Deng, DA Dixon, M Vasiliu, R Craciun, Y Wang, X Bao, and CHF Peden. 2015. "Investigation of the Structure and Active Sites of TiO2 Nanorod Supported VOx Catalysts by High-Field and Fast-Spinning 51V MAS NMR." ACS Catalysis 5(7):3945-3952.  doi:10.1021/acscatal.5b00286

Hulley E, N Kumar, S Raugei, and RM Bullock. 2015. "Manganese-Based Molecular Electrocatalysts for Oxidation of Hydrogen." ACS Catalysis 5(11):6838-6847.  doi:10.1021/acscatal.5b01751

Johnson GE, AM Olivares, DE Hill, and J Laskin. 2015. "Cationic Gold Clusters Ligated with Differently Substituted Phosphines: Effect of Substitution on Ligand Reactivity and Binding." Physical Chemistry Chemical Physics. PCCP 17(22):14636-14646.  doi:10.1039/C5CP01686J

Johnson GE, and J Laskin. 2015. "Soft Landing of Mass-Selected Gold Clusters: Influence of Ion and Ligand on Charge Retention and Reactivity ." International Journal of Mass Spectrometry 377:205-213.  doi:10.1016/j.ijms.2014.05.013

Johnson GE, RJ Colby, and J Laskin. 2015. "Soft Landing of Bare Nanoparticles with Controlled Size, Composition, and Morphology ." Nanoscale (8):3491-3503.  doi:10.1039/C4NR06758D

Johnson GE, RJ Colby, MH Engelhard, DW Moon, and J Laskin. 2015. "Soft Landing of Bare PtRu Nanoparticles for Electrochemical Reduction of Oxygen ." Nanoscale 7(29):12379-12391.  doi:10.1039/C5NR03154K

Johnson TJ, LE Sweet, DE Meier, EJ Mausolf, E Kim, PF Weck, EC Buck, and BK McNamara. 2015. "Dehydration of Uranyl Nitrate Hexahydrate to Uranyl Nitrate Trihydrate under Ambient Conditions as Observed via Dynamic Infrared Reflectance Spectroscopy." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XVI, April 20, 2015, Baltimore, Maryland. Proceedings of the SPIE, vol. 9455, ed. AW Fountain, p. Article No.945504.  SPIE , Bellingham, WA.  doi:10.1117/12.2179704

Johnson TJ, LE Sweet, DE Meier, EJ Mausolf, E Kim, PF Weck, EC Buck, and BK McNamara. 2015. "Time-Resolved Infrared Reflectance Studies of the Dehydration-Induced Transformation of Uranyl Nitrate Hexahydrate to the Trihydrate Form." Journal of Physical Chemistry A 119(39):9996-10006.  doi:10.1021/acs.jpca.5b06365

Kong L, AG Joly, TC Droubay, and WP Hess. 2015. "Quantum Efficiency Enhancement in CsI/Metal Photocathodes." Chemical Physics Letters 621:155-159.  doi:10.1016/j.cplett.2015.01.010

Labios LAN, CJ Weiss, JD Egbert, SJ Lense, RM Bullock, WG Dougherty, WS Kassel, and MT Mock. 2015. "Synthesis and Protonation Studies of Molybdenum(0) Bis(dinitrogen) Complexes Supported by Diphosphine Ligands Containing Pendant Amines." Zeitschrift fuer Anorganische und Allgemeine Chemie 641(1):105-117.  doi:10.1002/zaac.201400119

Labios LAN, ZM Heiden, and MT Mock. 2015. "Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum bis(Dinitrogen) Complexes." Inorganic Chemistry 54(9):4409-4422.  doi:10.1021/acs.inorgchem.5b00209

Laskin J, and JH Futrell. 2015. "New Approach for Studying Slow Fragmentation Kinetics in FT-ICR: Surface-Induced Dissociation Combined with Resonant Ejection ." International Journal of Mass Spectrometry 378:160-168.  doi:10.1016/j.ijms.2014.07.029

Laskin J. 2015. "Effect of Basic Residue on the Kinetics of Peptide Fragmentation Examined Using Surface-Induced Dissociation Combined with Resonant Ejection." International Journal of Mass Spectrometry 391:24-30.  doi:10.1016/j.ijms.2015.07.017

Laskin J. 2015. "Ion-Surface Collisions in Mass Spectrometry: Where Analytical Chemistry Meets Surface Science." International Journal of Mass Spectrometry 377:188-200.  doi:10.1016/j.ijms.2014.07.004

Laskin J. 2015. "Surface-induced Dissociation: A Unique Tool for Studying Energetics and Kinetics of Gas-phase Fragmentation of Large Ions." European Journal of Mass Spectrometry 21(3):377-389.  doi:10.1255/ejms.1358

Lei H, CJ Mundy, GK Schenter, and N Voulgarakis. 2015. "Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics ." Journal of Chemical Physics 142(19):194504.  doi:10.1063/1.4921222

Lin P, J Laskin, SA Nizkorodov, and A Laskin. 2015. "Revealing Brown Carbon Chromophores Produced in Reactions of Methylglyoxal with Ammonium Sulfate." Environmental Science & Technology 49(24):14257-14266.  doi:10.1021/acs.est.5b03608

Lin P, J Liu, JE Shilling, SM Kathmann, J Laskin, and A Laskin. 2015. "Molecular Characterization of Brown Carbon (BrC) Chromophores in Secondary Organic Aerosol Generated From Photo-Oxidation of Toluene." Physical Chemistry Chemical Physics. PCCP 17(36):23312-23325.  doi:10.1039/c5cp02563j

Liu Y, JK Fredrickson, JM Zachara, and L Shi. 2015. "Direct Involvement of ombB, omaB and omcB Genes in Extracellular Reduction of Fe(III) by Geobacter sulfurreducens PCA." Frontiers in Microbiology 6:Article No. 1075.  doi:10.3389/fmicb.2015.01075

Miliordos E, and SS Xantheas. 2015. "An accurate and efficient computational protocol for obtaining the Complete Basis Set limits of the binding energies of water clusters at the MP2 and CCSD(T) levels of theory: Application to (H2O)m, m=2-6, 8, 11, 16 and 17." Journal of Chemical Physics 142(23):234303.  doi:10.1063/1.4922262

Miliordos E, and SS Xantheas. 2015. "Ground and excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters: Insight into the electronic structure of the [Fe(H2O)6]2+ - [Fe(H2O)6]3+ complex." Journal of Chemical Theory and Computation 11(4):1549-1563.  doi:10.1021/ct501143c

Miliordos E, and SS Xantheas. 2015. "On the validity of the basis set superposition error and complete basis set limit extrapolations for the binding energy of the formic acid dimer." Journal of Chemical Physics 142(9):094311.  doi:10.1063/1.4913766

Nandasiri MI, V Shutthanandan, S Manandhar, AM Schwarz, LS Oxenford, JV Kennedy, S Thevuthasan, and MA Henderson. 2015. "Instability of Hydrogenated TiO2." Journal of Physical Chemistry Letters 6(22):4627-4632.  doi:10.1021/acs.jpclett.5b02219

Novotny Z, F Netzer, and Z Dohnalek. 2015. "Cerium oxide nanoclusters on graphene/Ru(0001): Intercalation of oxygen via spillover." ACS Nano 9(8):8617-8626.  doi:10.1021/acsnano.5b03987

Petrik NG, and GA Kimmel. 2015. "Reaction Kinetics of Water Molecules with Oxygen Vacancies on Rutile TiO2(110)." Journal of Physical Chemistry C 119(40):23059-23067.  doi:10.1021/acs.jpcc.5b07526

Petrik NG, MA Henderson, and GA Kimmel. 2015. "Insights into Acetone Photochemistry on Rutile TiO2(110). 1. Off-Normal CH3 Ejection from Acetone Diolate." Journal of Physical Chemistry C 119(22):12262-12272.  doi:10.1021/acs.jpcc.5b02477

Petrik NG, MA Henderson, and GA Kimmel. 2015. "Insights into Acetone Photochemistry on Rutile TiO2(110). 2. New Photodesorption Channel with CH3 Ejection along the Surface Normal." Journal of Physical Chemistry C 119(22):12273-12282.  doi:10.1021/acs.jpcc.5b02478

Priyadarshani N, B Ginovska-Pangovska, JT Bays, JC Linehan, and WJ Shaw. 2015. "Photoswitching a Molecular Catalyst to Regulate CO2 Hydrogenation." Dalton Transactions 44(33):14854-14864.  doi:10.1039/c5dt01649e

Roy S, and LX Dang. 2015. "Water exchange dynamics around H3O+ and OH- ions." Chemical Physics Letters 628:30-34.  doi:10.1016/j.cplett.2015.04.002

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Shi H, JA Lercher, and XY Yu. 2015. "Sailing into uncharted waters: recent advances in the in situ monitoring of catalytic processes in aqueous environments." Catalysis Science & Technology 5(6):3035-3060.  doi:10.1039/C4CY01720J

Szanyi J, and JH Kwak. 2015. "Photo-catalytic oxidation of acetone on a TiO2 powder: An in situ FTIR investigation." Journal of Molecular Catalysis. A, Chemical. 406:213-223.  doi:10.1016/j.molcata.2015.05.025

Tao J, GW Buchko, WJ Shaw, J De Yoreo, and BJ Tarasevich. 2015. "Sequence-defined Energetic Shifts Control the Disassembly Kinetics and Microstructure of Amelogenin Adsorbed onto Hydroxyapatite (100)." Langmuir 31(38):10451-10460.  doi:10.1021/acs.langmuir.5b02549

Weber RS, MV Olarte, and H Wang. 2015. "Modeling the Kinetics of Deactivation of Catalysts during the Upgrading of Bio-Oil." Energy and Fuels 29(1):273-277.  doi:10.1021/ef502483t

Whittemore SM, and T Autrey. 2015. "Kinetic and thermodynamic study of the reduction of 1,1-diphenylethylene by a thermally frustrated diethyl ether-BCF Lewis pair." Israel Journal of Chemistry 55(2):196-201.  doi:10.1002/ijch.201400142

Zall CM, JC Linehan, and AM Appel. 2015. "A Molecular Copper Catalyst for Hydrogenation of CO-2 to Formate." ACS Catalysis 5(9):5301-5305.  doi:10.1021/acscatal.5b01646

Zelenyuk A, D Imre, JM Wilson, Z Zhang, J Wang, and K Mueller. 2015. "Airborne Single Particle Mass Spectrometers (SPLAT II & miniSPLAT) and New Software for Data Visualization and Analysis in a Geo-Spatial Context." Journal of the American Society for Mass Spectrometry 26(2):257-270.  doi:10.1007/s13361-014-1043-4

Zhang Z, M Tang, Z Wang, Z Ke, Y Xia, KT Park, I Lyubinetsky, Z Dohnalek, and Q Ge. 2015. "Imaging of Formaldehyde Adsorption and Diffusion on TiO2(110)." Topics in Catalysis 58(2-3):103-113.  doi:10.1007/s11244-014-0349-6

Atkinson DB, JG Radney, J Lum, KR Kolesar, DJ Cziczo, MS Pekour, Q Zhang, A Setyan, A Zelenyuk, and C Cappa. 2015. "Aerosol optical hygroscopicity measurements during the 2010 CARES Campaign." Atmospheric Chemistry and Physics 15(8):4045-4061.  doi:10.5194/acp-15-4045-2015

Bayram E, JC Linehan, JL Fulton, N Szymczak, and RG Finke. 2015. "Determination of the Dominant Catalyst Derived from the Classic [RhCp*Cl2]2 Precatalyst System: Is it Single-Metal Rh1Cp*-Based, Subnanometer Rh4 Cluster-Based, or Rh(0)n Nanoparticle-Based Cyclohexene Hydrogenation Catalysis at Room Temperature and Mild Pressures?" ACS Catalysis 5(6):3876-3886.  doi:10.1021/acscatal.5b00315

Beale AM, F Gao, I Lezcano-Gonzalez, CHF Peden, and J Szanyi. 2015. "Recent advances in automotive catalysis for NOx emission control by small-pore microporous materials." Chemical Society Reviews 44(20):7371-7405.  doi:10.1039/c5cs00108k

Bernacki BE, CS Brauer, BD Cannon, TL Myers, MS Taubman, and CG Anderson. 2015. Annual Report for the QCL Calibration ProjectPNNL-24170, Pacific Northwest National Laboratory, Richland, WA. 

Bhaskaran-Nair K, M Valiev, S Deng, WA Shelton, JR, K Kowalski, and XB Wang. 2015. "Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations." Journal of Chemical Physics 143(22):Article No. 224301. 

Boone EJ, A Laskin, J Laskin, C Wirth, PB Shepson, BH Stirm, and KA Pratt. 2015. "Aqueous Processing of Atmospheric Organic Particles in Cloud Water Collected via Aircraft Sampling." Environmental Science & Technology 49(14):8523-8530.  doi:10.1021/acs.est.5b01639

Brorsen KR, SY Willow, SS Xantheas, and MS Gordon. 2015. "The melting temperature of liquid water with the effective fragment potential." Journal of Physical Chemistry Letters 6(18):3555-3559.  doi:10.1021/acs.jpclett.5b01702

Brown HJS, S Wiese, JA Roberts, RM Bullock, and ML Helm. 2015. "Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo- Protonation Sites." ACS Catalysis 5(4):2116-2123.  doi:10.1021/cs502132y

Bryan SA, TJ Johnson, and CR Orton. 2015. Enhanced Uranium Ore Concentrate Analysis by Handheld Raman Sensor: FY15 Status ReportPNNL-24903, Pacific Northwest National Laboratory, Richland, WA. 

Bullock RM, and ML Helm. 2015. "Molecular Electrocatalysts for Oxidation of Hydrogen Using Earth-Abundant Metals: Shoving Protons Around With Proton Relays ." Accounts of Chemical Research 48(7):2017-2026.  doi:10.1021/acs.accounts.5b00069

Chase Z, S Kasakov, H Shi, A Vjunov, JL Fulton, DM Camaioni, M Balasubramanian, C Zhao, Y Wang, and JA Lercher. 2015. "State of Supported Nickel Nanoparticles during Catalysis in Aqueous Media." Chemistry - A European Journal 21(46):16541-16546.  doi:10.1002/chem.201502723

Chen G, LN Zakharov, ME Bowden, AJ Karkamkar, SM Whittemore, EB Garner, TC Mikulas, DA Dixon, T Autrey, and SY Liu. 2015. "Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material." Journal of the American Chemical Society 137(1):134-137.  doi:10.1021/ja511766p

Chen HY, Z Wei, M Kollar, F Gao, Y Wang, J Szanyi, and CHF Peden. 2015. "A Comparative Study of N2O Formation during the Selective Catalytic Reduction of NOx with NH3 on Zeolite Supported Cu Catalysts." Journal of Catalysis 329:490-498.  doi:10.1016/j.jcat.2015.06.016

Cheng Y, RM Stolley, KS Han, Y Shao, BW Arey, NM Washton, KT Mueller, ML Helm, VL Sprenkle, J Liu, and G Li. 2015. "Highly Active Electrolytes for Rechargeable Mg Batteries Based on [Mg2(µ-Cl)2]2+ Cation Complex in Dimethoxyethane." Physical Chemistry Chemical Physics. PCCP 17(20):13307-13314.  doi:10.1039/C5CP00859J

China S, GR Kulkarni, B Scarnatio, N Sharma, MS Pekour, JE Shilling, JM Wilson, A Zelenyuk, D Chand, S Liu, A Aiken, MK Dubey, A Laskin, RA Zaveri, and C Mazzoleni. 2015. "Morphology Of Diesel Soot Residuals From Supercooled Water Droplets And Ice Crystals: Implications For Optical Properties." Environmental Research Letters 10:114010.  doi:10.1088/1748-9326/10/11/114010

Choi YJ, MP Westman, AJ Karkamkar, J Chun, and E Ronnebro. 2015. "Synthesis and Engineering Materials Properties of Fluid Phase Chemical Hydrogen Storage Materials for Automotive Applications." Energy and Fuels 29(10):6695-6703.  doi:10.1021/acs.energyfuels.5b01307

Clikeman TT, S Deng, AA Popov, XB Wang, SH Strauss, and OV Boltalina. 2015. "Fullerene Cyanation Does Not Always Increase Electron Affinity: Experimental and Theoretical Study." Physical Chemistry Chemical Physics. PCCP 17(1):551-556.  doi:10.1039/C4CP04287E

Clikeman TT, EV Bukovsky, XB Wang, YS Chen, G Rumbles, SH Strauss, and OV Boltalina. 2015. "Core Perylene Diimide Designs via Direct Bay and Ortho (Poly)trifluoromethylation: Synthesis, Isolation, X-ray Structures, Optical and Electronic Properties." European Journal of Organic Chemistry 2015(30):6641-6654.  doi:10.1002/ejoc.201501024

Connelly SJ, ES Wiedner, and AM Appel. 2015. "Predicting the Reactivity of Hydride Donors in Water: Thermodynamic Constants for Hydrogen." Dalton Transactions 44(13):5933-5938.  doi:10.1039/C4DT03841J

Cosimbescu L, X Wei, M Vijayakumar, W Xu, ML Helm, SD Burton, CM Sorensen, J Liu, VL Sprenkle, and W Wang. 2015. "Anion-Tunable Properties and Electrochemical Performance of Functionalized Ferrocene Compounds." Scientific Reports 5:14117.  doi:10.1038/srep14117

Cox SJ, SM Kathmann, B Slater, and A Michaelides. 2015. "Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity." Journal of Chemical Physics 142(18):184704.  doi:10.1063/1.4919714

Cox SJ, SM Kathmann, B Slater, and A Michaelides. 2015. "Molecular Simulations of Heterogeneous Ice Nucleation. II. Peeling back the Layers." Journal of Chemical Physics 142(18):184705.  doi:10.1063/1.4919715

Danyal K, AJ Rasmussen, SM Keable, BS Inglet, S Shaw, O Zadvornyy, SS Duval, DR Dean, S Raugei, JW Peters, and LC Seefeldt. 2015. "Fe Protein-Independent Substrate Reduction by Nitrogenase MoFe Protein Variants." Biochemistry 54(15):2456-2462.  doi:10.1021/acs.biochem.5b00140

Darmon JM, N Kumar, E Hulley, CJ Weiss, S Raugei, RM Bullock, and ML Helm. 2015. "Increasing the Rate of Hydrogen Oxidation without Increasing the Overpotential: A Bio-Inspired Iron Molecular Electrocatalyst with an Outer Coordination Sphere Proton Relay." Chemical Science 6(5):2737-2745.  doi:10.1039/C5SC00398A

Davidson RB, JI Ziegler, G Vargas, SM Avanesyan, Y Gong, WP Hess, and RF Haglund Jr.. 2015. "Efficient Forward Second-Harmonic Generation from Planar Archimedean Nanospirals." Nanophotonics 4(1):108-113.  doi:10.1515/nanoph-2015-0002

Droubay TC, L Kong, SA Chambers, and WP Hess. 2015. "Work Function Reduction by BaO: Growth of Crystalline Barium Oxide on Ag(001) and Ag(111) Surfaces." Surface Science 632:201-206.  doi:10.1016/j.susc.2014.07.010

Dutta A, SJ Lense, JA Roberts, ML Helm, and WJ Shaw. 2015. "The role of solvent and the outer coordination sphere on H2 oxidation using [Ni(PCy2NPyz2)2]2+." European Journal of Inorganic Chemistry 2015(31):5218-5225.  doi:10.1002/ejic.201500732

Ebata T, R Kusaka, and SS Xantheas. 2015. "Laser Spectroscopic and Theoretical Studies of the Structures and Encapsulation Motifs of Functional Molecules." In Proceedings of the International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2010), October 3-8, 2010, Kos, Greece. AIP Conference Proceedings, vol. 1642, ed. TE Simos and G Maroulis, p. 51.  American Institute of Physics, Melville, NY.  doi:10.1063/1.4906630

El-Khoury PZ, Y Gong, P Abellan, BW Arey, AG Joly, D Hu, JE Evans, ND Browning, and WP Hess. 2015. "Tip-Enhanced Raman Nanographs: Mapping Topography and Local Electric Fields." Nano Letters 15(4):2385-2390.  doi:10.1021/acs.nanolett.5b00609

El-Khoury PZ, GE Johnson, IV Novikova, Y Gong, AG Joly, JE Evans, M Zamkov, J Laskin, and WP Hess. 2015. "Enhanced Raman Scattering from Aromatic Dithiols Electrosprayed into Plasmonic Nanojunctions." Faraday Discussions 184:339-357.  doi:10.1039/C5FD00036J

Fernandez CA, SK Nune, HV Annapureddy, LX Dang, BP McGrail, F Zheng, E Polikarpov, DL King, CJ Freeman, and KP Brooks. 2015. "Hydrophobic and moisture-stable metal-organic frameworks." Dalton Transactions 44(30):13490 - 13497.  doi:10.1039/C5DT00606F

Flynn BT, H Zhang, V Shutthanandan, T Varga, RJ Colby, RP Oleksak, S Manandhar, MH Engelhard, SA Chambers, MA Henderson, GS Herman, and S Thevuthasan. 2015. "Growth and Surface Modification of LaFeO3 Thin Films Induced By Reductive Annealing." Applied Surface Science 330:309-315.  doi:10.1016/j.apsusc.2015.01.028

Fooshee DR, PK Aiona, A Laskin, J Laskin, S Nizkorodov, and P Baldi. 2015. "Atmospheric Oxidation of Squalene: Molecular Study Using COBRA Modeling and High-Resolution Mass Spectrometry." Environmental Science & Technology 49(22):13304-13313.  doi:10.1021/acs.est.5b03552

Foraita SD, JL Fulton, ZA Chase, A Vjunov, P Xu, E Barath, DM Camaioni, C Zhao, and JA Lercher. 2015. "Impact of the oxygen defects and the hydrogen concentration on the surface of tetragonal and monoclinic ZrO2 on the reduction rates of stearic acid on Ni/ZrO2." Chemistry - A European Journal 21(6):2423-2434.  doi:10.1002/chem.201405312

Fournier JA, CT Wolke, MA Johnson, TT Odbadrakh, KD Jordan, SM Kathmann, and SS Xantheas. 2015. "Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O)n=2 - 28 Clusters." Journal of Physical Chemistry A 119(36):9425-9440.  doi:10.1021/acs.jpca.5b04355

Fulton JL, N Govind, T Huthwelker, EJ Bylaska, A Vjunov, S Pin, and TD Smurthwaite. 2015. "Electronic and Chemical State of Aluminum from the Single- (K) and Double-Electron Excitation (KLII&III, KLI) X-Ray Absorption Near-Edge Spectra of a-Alumina, Sodium Aluminate, Aqueous Al3+·(H2O)6, and Aqueous Al(OH)4-." Journal of Physical Chemistry B 119(26):8380-8388.  doi:10.1021/jp511602n

Gao F, Y Wang, M Kollar, NM Washton, J Szanyi, and CHF Peden. 2015. "A Comparative Kinetics Study between Cu/SSZ-13 and Fe/SSZ-13 SCR Catalysts." Catalysis Today 258(Part 2):347-358.  doi:10.1016/j.cattod.2015.01.025

Gao F, Y Wang, NM Washton, M Kollar, J Szanyi, and CHF Peden. 2015. "Effects of Alkali and Alkaline Earth Cocations on the Activity and Hydrothermal Stability of Cu/SSZ-13 NH3-SCR Catalysts." ACS Catalysis 5(11):6780-6791.  doi:10.1021/acscatal.5b01621

Gao F, ED Walter, NM Washton, J Szanyi, and CHF Peden. 2015. "Synthesis and Evaluation of Cu/SAPO-34 Catalysts for NH3-SCR 2: Solid-state Ion Exchange and One-pot Synthesis." Applied Catalysis. B, Environmental 162:501-514.  doi:10.1016/j.apcatb.2014.07.029

Gao F, M Kollar, RK Kukkadapu, NM Washton, Y Wang, J Szanyi, and CHF Peden. 2015. "Fe/SSZ-13 as an NH3-SCR Catalyst: A Reaction Kinetics and FTIR/Mössbauer Spectroscopic Study." Applied Catalysis. B, Environmental 164:407-419.  doi:10.1016/j.apcatb.2014.09.031

Gao F, NM Washton, Y Wang, M Kollar, J Szanyi, and CHF Peden. 2015. "Effects of Si/Al Ratio on Cu/SSZ-13 NH3-SCR Catalysts: Implications for the active Cu species and the Roles of Brønsted Acidity ." Journal of Catalysis 331:25-38.  doi:10.1016/j.jcat.2015.08.004

Ginovska-Pangovska B, T Autrey, KK Parab, ME Bowden, RG Potter, and DM Camaioni. 2015. "Heterolysis of H2 Across a Classical Lewis Pair, 2,6-Lutidine-BCl3: Synthesis, Characterization, and Mechanism." Chemistry - A European Journal 21(4):15713-15719.  doi:10.1002/chem.201501899

Gunaratne KDD, V Prabhakaran, GE Johnson, and J Laskin. 2015. "Gas-Phase Fragmentation Pathways of Mixed-Addenda Keggin Anions: PMo12-nWnO403- (n = 0-12)." Journal of the American Society for Mass Spectrometry 26(6):1027-1035.  doi:10.1007/s13361-015-1090-5

Gunaratne KDD, V Prabhakaran, YM Ibrahim, RV Norheim, GE Johnson, and J Laskin. 2015. "Design and Performance of a High-Flux Electrospray Ionization Source for Ion Soft-Landing." Analyst 140(9):2957-2963.  doi:10.1039/C5AN00220F

Halliday MT, WP Hess, and AL Shluger. 2015. "Structure and properties of electronic and hole centers in CsBr from theoretical calculations." Journal of Physics: Condensed Matter 27(24):245501.  doi:10.1088/0953-8984/27/24/245501

Halliday MT, AG Joly, WP Hess, and AL Shluger. 2015. "Photoinduced Br Desorption from CsBr Thin Films Grown on Cu(100)." Journal of Physical Chemistry C 119(42):24036-24045.  doi:10.1021/acs.jpcc.5b08275

Ho MH, RJ Rousseau, JA Roberts, ES Wiedner, M Dupuis, DL DuBois, RM Bullock, and S Raugei. 2015. "Ab Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: the Case of H2 Production Electrocatalysts." ACS Catalysis 5(9):5436-5452.  doi:10.1021/acscatal.5b01152

Ho MH, MJ O'Hagan, M Dupuis, DL DuBois, RM Bullock, WJ Shaw, and S Raugei. 2015. "Water-Assisted Proton Delivery and Removal in bio-inspired Hydrogen Production Catalysts." Dalton Transactions 44(24):10969-10979.  doi:10.1039/C5DT00782H

Hrovat D, GL Hou, XB Wang, and W Borden. 2015. "Negative Ion Photoelectron Spectroscopy Confirms the Prediction that 1,2,4,5-Tetraoxatetramethylenebenzene Has a Singlet Ground State." Journal of the American Chemical Society 137(28):9094-9099.  doi:10.1021/jacs.5b04416

Hu JZ, MY Hu, Z Zhao, S Xu, A Vjunov, H Shi, DM Camaioni, CHF Peden, and JA Lercher. 2015. "Sealed Rotors for In Situ High Temperature High Pressure MAS NMR." Chemical Communications 51(70):13458-13461.  doi:10.1039/c5cc03910j

Imoto S, SS Xantheas, and S Saito. 2015. "Ultrafast dynamics of liquid water: Energy relaxation and transfer processes of the OH stretch and the HOH bend." Journal of Physical Chemistry B 119(34):11068-11078.  doi:10.1021/acs.jpcb.5b02589

Jin J, JD Miller, LX Dang, and CD Wick. 2015. "Effect of Cu2+ Activation on Interfacial Water Structure at the Sphalerite Surface as Studied by Molecular Dynamics Simulation." International Journal of Mineral Processing 145:66-76.  doi:10.1016/j.minpro.2015.07.001

Jin J, JD Miller, LX Dang, and CD Wick. 2015. "Effect of Surface Oxidation on Interfacial Water Structure at a Pyrite (100) Surface as Studied by Molecular Dynamics Simulation." International Journal of Mineral Processing 139:64-76.  doi:10.1016/j.minpro.2015.04.006

Johnson TC, R Versteeg, JN Thomle, GE Hammond, X Chen, and JM Zachara. 2015. "Four-dimensional electrical conductivity monitoring of stage-driven river water intrusion: Accounting for water table effects using a transient mesh boundary and conditional inversion constraints." Water Resources Research 51(8):6177-6196.  doi:10.1002/2014WR016129

Kasakov S, H Shi, DM Camaioni, C Zhao, E Barath, A Jentys, and JA Lercher. 2015. "Reductive deconstruction of organosolv lignin catalyzed by zeolite supported nickel nanoparticles." Green Chemistry 17(11):5079-5090.  doi:10.1039/c5gc02160j

Kasakov S, C Zhao, E Barath, ZA Chase, JL Fulton, DM Camaioni, A Vjunov, H Shi, and JA Lercher. 2015. "Glucose- and Cellulose-Derived Ni/C-SO3H Catalysts for Liquid Phase Phenol Hydrodeoxygenation." Chemistry - A European Journal 21(4):1567-1577.  doi:10.1002/chem.201405242

Kim B, BD Kay, Z Dohnalek, and YK Kim. 2015. "Ammonia formation from NO reaction with surface hydroxyls on rutile TiO2 (110) - 1x1." Journal of Physical Chemistry C 119(2):1130-1135.  doi:10.1021/jp5109619

Kochanov RV, IE Gordon, LS Rothman, SW Sharpe, TJ Johnson, and RL Sams. 2015. "Comment on “Radiative forcings for 28 potential Archean greenhouse gases" by Byrne and Goldblatt (2014)." Climate of the Past 11(8):1097-1105.  doi:10.5194/cp-11-1097-2015

Kochem A, MJ O'Hagan, ES Wiedner, and M van Gastel. 2015. "Combined Spectroscopic and Electrochemical Detection of a NiI···H-N Bonding Interaction with Relevance to Electrocatalytic H2 Production." Chemistry - A European Journal 21(29):10338-10347.  doi:10.1002/chem.201500954

Kovarik L, ME Bowden, D Shi, NM Washton, A Anderson, JZ Hu, J Lee, J Szanyi, JH Kwak, and CHF Peden. 2015. "Unraveling the Origin of Structural Disorder in High Temperature Transition Al2O3: Structure of ?-Al2O3." Chemistry of Materials 27(20):7042-7049.  doi:10.1021/acs.chemmater.5b02523

Kulkarni GR, MI Nandasiri, A Zelenyuk, J Beranek, N Madaan, A Devaraj, V Shutthanandan, S Thevuthasan, and T Varga. 2015. "Effects Of Crystallographic Properties On The Ice Nucleation Properties Of Volcanic Ash Particles." Geophysical Research Letters 42(8):3048-3055.  doi:10.1002/2015GL063270

Lanekoff I, and J Laskin. 2015. "Imaging of Lipids and Metabolites Using Nanospray Desorption Electrospray Ionization Mass Spectrometry." In Mass Spectrometry Imaging of Small Molecules: Methods in Molecular Biology, vol. 1203, ed. L He, pp. 99-106.  Springer, New York. 

Lanekoff IT, KE Burnum-Johnson, M Thomas, J Cha, SK Dey, P yang, M Prieto, and J Laskin. 2015. "Three-Dimensional Imaging of Lipids and Metabolites in Tissues by Nanospray Desorption Electrospray Ionization Mass Spectrometry." Analytical and Bioanalytical Chemistry 407(8):2063-2071.  doi:10.1007/s00216-014-8174-0

Laskin A, J Laskin, and S Nizkorodov. 2015. "Chemistry Of Atmospheric Brown Carbon." Chemical Reviews 115(10):4335-4382.  doi:10.1021/cr5006167

Lee MS, BP McGrail, RJ Rousseau, and VA Glezakou. 2015. "Structure, dynamics and stability of water/scCO2/mineral interfaces from ab initio molecular dynamics simulations." Scientific Reports 5:Article No. 14857.  doi:10.1038/srep14857

Li WL, Y Li, C Xu, XB Wang, ER Vorpagel, and J Li. 2015. "Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4](-) (X = F, CI, Br, I, At, Uus)." Inorganic Chemistry 54(23):11157-11167.  doi:10.1021/acs.inorgchem.5b01489

Li WZ, F Gao, Y Li, ED Walter, J Liu, CHF Peden, and Y Wang. 2015. "Nanocrystalline Anatase Titania Supported Vanadia Catalysts: Facet-dependent Structure of Vanadia." Journal of Physical Chemistry C 119(27):15094-15102.  doi:10.1021/acs.jpcc.5b01486

Li Y, Z Wei, F Gao, L Kovarik, RA Baylon, CHF Peden, and Y Wang. 2015. "Effect of Oxygen Defects on the Catalytic Performance of VOx/CeO2 Catalysts for Oxidative Dehydrogenation of Methanol." ACS Catalysis 5(5):3006-3012.  doi:10.1021/cs502084g

Liu C, Y Liu, SN Kerisit, and JM Zachara. 2015. "Pore-Scale Process Coupling and Effective Surface Reaction Rates in Heterogeneous Subsurface Materials." Reviews in Mineralogy and Geochemistry 80(1):191-216.  doi:10.2138/rmg.2015.80.06

Liu TL, Q Liao, MJ O'Hagan, E Hulley, DL DuBois, and RM Bullock. 2015. "Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2." Organometallics 34(12):2747-2764.  doi:10.1021/om501289f

Liu Y, C Liu, C Zhang, X Yang, and JM Zachara. 2015. "Pore and Continuum Scale Study of the Effect of Subgrid Transport Heterogeneity on Redox Reaction Rates ." Geochimica et Cosmochimica Acta 163:140-155.  doi:10.1016/j.gca.2015.04.039

Liu Y, C Liu, RK Kukkadapu, JP McKinley, JM Zachara, AE Plymale, MD Miller, T Varga, and CT Resch. 2015. "99Tc(VII) Retardation, Reduction, and Redox Rate Scaling in Naturally Reduced Sediments." Environmental Science & Technology 49(22):13403-13412.  doi:10.1021/acs.est.5b03273

Luo J, F Gao, AM Karim, P Xu, ND Browning, and CHF Peden. 2015. "Advantages of MgAlOx over gamma-Al2O3 as a support material for potassium-based high temperature lean NOx traps." ACS Catalysis 5(8):4680-4689.  doi:10.1021/acscatal.5b00542

Maki AG, JE Price, J Harzan, JW Nibler, A Weber, T Masiello, and TA Blake. 2015. "Analysis of several high-resolution infrared bands of spiropentane, C5H8." Journal of Molecular Spectroscopy 312:68-77.  doi:10.1016/j.jms.2015.03.013

Mielke SL, BC Garrett, DG Fleming, and DG Truhlar. 2015. "Zero-point energy, tunneling, and vibrational adiabaticity in the Mu + H2 reaction." Molecular Physics 113(2):160-175.  doi:10.1080/00268976.2014.951416

Miller DL, BJ Boro, K Grubel, ML Helm, and AM Appel. 2015. "Synthesis and Characterization of a New TRIPHOS Ligand Derivative and the Corresponding Pd(II) Complexes." European Journal of Inorganic Chemistry 2015(35):5781-5785.  doi:10.1002/ejic.201500791

Miranda BC, RJ Chimentao, J Szanyi, AH Braga, JBO Santos, F Gispert-Guirado, J Llorca, and F Medina. 2015. "Influence of copper on nickel-based catalysts in the conversion of glycerol." Applied Catalysis. B, Environmental 166-167:166-180.  doi:10.1016/j.apcatb.2014.11.019

Mock MT, AW Pierpont, JD Egbert, MJ O'Hagan, S Chen, RM Bullock, WG Dougherty, WS Kassel, and RJ Rousseau. 2015. "Protonation Studies of a Mono-Dinitrogen Complex of Chromium Supported by a 12-Membered Phosphorus Macrocycle Containing Pendant Amines." Inorganic Chemistry 54(10):4827-4839.  doi:10.1021/acs.inorgchem.5b00351

Motkuri RK, PK Thallapally, HV Annapureddy, LX Dang, R Krishna, SK Nune, CA Fernandez, J Liu, and BP McGrail. 2015. "Separation of polar compounds using a flexible metal-organic framework." Chemical Communications 51(40):8421-8424.  doi:10.1039/c5cc00113g

Mu R, D Cantu Cantu, VA Glezakou, I Lyubinetsky, RJ Rousseau, and Z Dohnalek. 2015. "Deprotonated Water Dimers: The Building Blocks of Segmented Water Chains on Rutile RuO2(110)." Journal of Physical Chemistry C 119(41):23552-23558.  doi:10.1021/acs.jpcc.5b07158

Myers TL, CS Brauer, YF Su, TA Blake, RG Tonkyn, AB Ertel, TJ Johnson, and RL Richardson. 2015. "Quantitative Reflectance Spectra of Solid Powders as a Function of Particle Size." Applied Optics 54(15):4863-4875.  doi:10.1364/AO.54.004863

Myers TL, BD Cannon, CS Brauer, S Hansen, and B Crowther. 2015. "Proton and gamma irradiation of Fabry-Perot quantum cascade lasers for space qualification." Applied Optics 54(3):527-534.  doi:10.1364/AO.54.000527

Nune SK, PK Thallapally, BP McGrail, HV Annapureddy, LX Dang, D Mei, NK Karri, KJ Alvine, MJ Olszta, BW Arey, and A Dohnalkova. 2015. "Adsorption Kinetics in Nanoscale Porous Coordination Polymers ." ACS Applied Materials & Interfaces 7(39):21712-21716.  doi:10.1021/acsami.5b04109

Parent LR, DB Robinson, PJ Cappillino, RJ Hartnett, P Abellan Baeza, JE Evans, ND Browning, and I Arslan. 2015. "In Situ Observation of Directed Nanoparticle Aggregation During the Synthesis of Ordered Nanoporous Metal in Soft Templates." Chemistry of Materials 26(3):1426-1433.  doi:10.1021/cm4035209

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San LK, EV Bukovsky, BW Larson, JB Whitaker, S Deng, N Kopidakis, G Rumbles, AA Popov, YS Chen, XB Wang, OV Boltalina, and SH Strauss. 2015. "A faux hawk fullerene with PCBM-like properties." Chemical Science 6(3):1801-1815.  doi:10.1039/c4sc02970d

Schaef HT, JS Loring, VA Glezakou, QR Miller, J Chen, AT Owen, MS Lee, ES Ilton, AR Felmy, BP McGrail, and CJ Thompson. 2015. "Competitive Sorption of CO2 and H2O in 2:1 Layer Phyllosilicates." Geochimica et Cosmochimica Acta 16:248-257.  doi:10.1016/j.gca.2015.03.027

Scheibe TD, WA Perkins, MC Richmond, MI McKinley, PDJ Romero Gomez, M Oostrom, TW Wietsma, JA Serkowski, and JM Zachara. 2015. "Pore-Scale and Multiscale Numerical Simulation of Flow and Transport in a Laboratory-Scale Column." Water Resources Research 51(2):1023-1035.  doi:10.1002/2014WR015959

Schubert DM, D Neiner, ME Bowden, SM Whittemore, JD Holladay, Z Huang, and T Autrey. 2015. "Capacity Enhancement of Aqueous Borohydride Fuels for hydrogen storage in liquids." Journal of Alloys and Compounds 645(Supplement 1):S196-S199.  doi:10.1016/j.jallcom.2015.01.063

Schwenzer B, L Cosimbescu, VA Glezakou, AJ Karkamkar, Z Wang, and RS Weber. 2015. "Use of Solvatochromism to Assay Preferential Solvation of a Prototypic Catalytic Site." Topics in Catalysis 58(4-6):258-270.  doi:10.1007/s11244-015-0367-z

Sen A, GL Hou, XB Wang, and C Dessent. 2015. "Electron Detachment as a Probe of Intrinsic Nucleobase Dynamics in Dianion-Nucleobase Clusters: Photoelectron Spectroscopy of the Platinum II Cyanide Dianion Bound to Uracil, Thymine, Cytosine and Adenine." Journal of Physical Chemistry B 119(35):11626-11631.  doi:10.1021/acs.jpcb.5b07108

Sen A, EM Matthews, GL Hou, XB Wang, and C Dessent. 2015. "Photoelectron Spectroscopy of Hexachloroplatinate-Nucleobase Complexes: Nucleobase Excited State Decay Observed via Delayed Electron Emission." Journal of Chemical Physics 143(18):Article No. 184307.  doi:10.1063/1.4935171

Shrivastava MKB, RC Easter, Jr, X Liu, A Zelenyuk, B Singh, K Zhang, PL Ma, D Chand, SJ Ghan, JL Jiminez, Q Zhang, JD Fast, PJ Rasch, and P Tiitta. 2015. "Global transformation and fate of SOA: Implications of Low Volatility SOA and Gas-Phase Fragmentation Reactions ." Journal of Geophysical Research. D. (Atmospheres) 120(9):4169-4195.  doi:10.1002/2014JD022563

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Vjunov A, MA Derewinski, JL Fulton, DM Camaioni, and JA Lercher. 2015. "Impact of zeolite aging in hot liquid water on activity for acid-catalyzed dehydration of alcohols." Journal of the American Chemical Society 137(32):10374-10382.  doi:10.1021/jacs.5b06169

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Wang Z, Z Shi, L Shi, GF White, DJ Richardson, TA Clarke, JK Fredrickson, and JM Zachara. 2015. "Effects of soluble flavin on heterogeneous electron transfer between surface-exposed bacterial cytochromes and iron oxides." Geochimica et Cosmochimica Acta 163:299-310.  doi:10.1016/j.gca.2015.03.039

Wang Z, MA Henderson, and I Lyubinetsky. 2015. "Origin of Coverage Dependence in Photoreactivity of Carboxylate on TiO2(110): Hindering by Charged Coadsorbed Hydroxyls ." ACS Catalysis 5(11):6463-6467.  doi:10.1021/acscatal.5b01819

Weise D, TJ Johnson, and J Reardon. 2015. "Particulate and Trace Gas Emissions from Prescribed Burns in Southeastern U.S. fuel types: Summary of a 5-year Project." Fire Safety Journal 74:71-81.  doi:10.1016/j.firesaf.2015.02.016

Weise D, TJ Johnson, and J Reardon. 2015. "Particulate and trace gas emissions from prescribed burns in southeastern U.S. fuel types: Summary of a 5-year project." Fire Safety Journal 74:71-81.  doi:10.1016/j.firesaf.2015.02.016

Weiss CJ, ES Wiedner, JA Roberts, and AM Appel. 2015. "Nickel Phosphine Catalysts with Pendant Amines for Electrocatalytic Oxidation of Alcohols." Chemical Communications 51(28):6172-6174.  doi:10.1039/C5CC01107H

Werhahn JC, E Miliordos, and SS Xantheas. 2015. "A new variation of the Buckingham exponential-6 potential with a tunable, singularity-free short-range repulsion and an adjustable long-range attraction." Chemical Physics Letters 619:133-138.  doi:10.1016/j.cplett.2014.11.051

Wilkins DM, D Manolopoulos, and LX Dang. 2015. "Nuclear quantum effects in water exchange around lithium and fluoride ions." Journal of Chemical Physics 142(6):Article No. 064509.  doi:10.1063/1.4907554

Wilson JM, D Imre, J Beranek, MKB Shrivastava, and A Zelenyuk. 2015. "Evaporation Kinetics of Laboratory Generated Secondary Organic Aerosols at Elevated Relative Humidity." Environmental Science & Technology 49(1):243-249.  doi:10.1021/es505331d

Yan S, Y Liu, C Liu, L Shi, J Shang, H Shan, JM Zachara, JK Fredrickson, DW Kennedy, CT Resch, CJ Thompson, and SJ Fansler. 2015. "Nitrate bioreduction in redox-variable low permeability sediments." Science of the Total Environment 539:185-195.  doi:10.1016/j.scitotenv.2015.08.122

Yang Y, D Mei, CHF Peden, CT Campbell, and CA Mims. 2015. "Surface-Bound Intermediates in Low-Temperature Methanol Synthesis on Copper: Participants and Spectators." ACS Catalysis 5(12):7328-7337.  doi:10.1021/acscatal.5b02060

Yi CWW, and J Szanyi. 2015. "The Thermal Behavior of Pd on Graphene/Ru(0001)." Surface Science 641:154-158.  doi:10.1016/j.susc.2015.06.005

Yoon Y, Y Du, JC Garcia, Z Zhu, Z Wang, NG Petrik, GA Kimmel, Z Dohnalek, MA Henderson, RJ Rousseau, NA Deskins, and I Lyubinetsky. 2015. "Anticorrelation between Surface and Subsurface Point Defects and the Impact on the Redox Chemistry of TiO2(110)." Chemphyschem 16(2):313-321.  doi:10.1002/cphc.201402599

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Zhang J, Z Sun, and XB Wang. 2015. "Examining the Critical Roles of Protons in Facilitating Oxidation of Chloride Ions by Permanganates: A Cluster Model Study." Journal of Physical Chemistry A 119(24):6244-6251.  doi:10.1021/acs.jpca.5b03328

Zhang S, and RM Bullock. 2015. "Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes With Bound Amines." Inorganic Chemistry 54(13):6397-6409.  doi:10.1021/acs.inorgchem.5b00728

Zhao Z, S Xu, MY Hu, X Bao, CHF Peden, and JZ Hu. 2015. "Investigation of Aluminum Site Changes of Dehydrated Zeolite H-Beta during a Rehydration Process by High Field Solid State NMR." Journal of Physical Chemistry C 119(3):1410-1417.  doi:10.1021/jp509982r

Zhi Y, H Shi, L Mu, Y Liu, D Mei, DM Camaioni, and JA Lercher. 2015. "Dehydration pathways of 1-propanol on HZSM-5 in the presence and absence of water." Journal of the American Chemical Society 137(50):15781-15794.  doi:10.1021/jacs.5b09107

Zhu K, Y Xia, M Tang, Z Wang, B Jan, I Lyubinetsky, Q Ge, Z Dohnalek, KT Park, and Z Zhang. 2015. "Tracking Site-specific C-C Coupling of Formaldehyde Molecules on Rutile TiO2(110)." Journal of Physical Chemistry C 119(25):14267-14272.  doi:10.1021/acs.jpcc.5b04781


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Annapureddy HV, and LX Dang. 2014. "Water Exchange Rates and Molecular Mechanism around Aqueous Halide Ions." Journal of Physical Chemistry B 118(28):7886-7891.  doi:10.1021/jp500402j

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Brauer CS, TJ Johnson, TA Blake, SW Sharpe, RL Sams, and RG Tonkyn. 2014. "The Northwest Infrared (NWIR) gas-phase spectral database of industrial and environmental chemicals: Recent updates." In Advanced Environmental, Chemical, and Biological Sensing Technologies XI, May 5, 2014, Baltimore, Maryland. Proceedings of the SPIE, vol. 9106, ed. T Vo-Dinh, RA Lieberman and GG Gauglitz, p. Paper No. 910604.  SPIE, Bellingham, WA.  doi:10.1117/12.2053591

Cantu Cantu D, BP McGrail, and VA Glezakou. 2014. "Formation mechanism of the secondary building unit in a chromium terephthalate metal-organic framework." Chemistry of Materials 26(22):6401-6409.  doi:10.1021/cm5027859

Chen C, J Qi, J Tao, R Zuckermann, and JJ De Yoreo. 2014. "Tuning calcite morphology and growth acceleration by a rational design of highly stable protein-mimetics." Scientific Reports 4:Article No. 6266.  doi:10.1038/srep06266

Dang LX. 2014. "Computational Studies of Water-Exchange Rates around Aqueous Mg2+ and Be2+." Journal of Physical Chemistry C 118(50):29028-29033.  doi:10.1021/jp503243x

Das AK, MH Engelhard, RM Bullock, and JA Roberts. 2014. "A Hydrogen-Evolving Ni(P2N2)2 Electrocatalyst Covalently Attached to a Glassy Carbon Electrode: Preparation, Characterization, and Catalysis. Comparisons With the Homogeneous Analog." Inorganic Chemistry 53(13):6875-6885.  doi:10.1021/ic500701a

Deng S, GL Hou, X Kong, M Valiev, and XB Wang. 2014. "Examining the Amine Functionalization in Dicarboxylates: Photoelectron Spectroscopy and Theoretical Studies of Aspartate and Glutamate." Journal of Physical Chemistry A 118(28):5256-5262.  doi:10.1021/jp505439b

Deng S, X Kong, GX Zhang, Y Yang, W Zheng, Z Sun, DQ Zhang, and XB Wang. 2014. "Vibrationally-resolved Photoelectron Spectroscopy of the Model GFP Chromophore Anion Revealing the Photoexcited S-1 State being both Vertically and Adiabatically Bound against the Photodetached D-0 Continuum." Journal of Physical Chemistry Letters 5(12):2155-2159.  doi:10.1021/jz500869b

Droubay TC, SA Chambers, AG Joly, WP Hess, K Nemeth, KC Harkay, and L Spentzouris. 2014. "Metal-Insulator Photocathode Heterojunction for Directed Electron Emission." Physical Review Letters 112(6):067601(5).  doi:10.1103/PhysRevLett.112.067601

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El-Khoury PZ, and WP Hess. 2014. "Vibronic Raman Scattering at the Quantum Limit of Plasmons." Nano Letters 14(7):4114-4118.  doi:10.1021/nl501690u

El-Khoury PZ, K Honkala, and WP Hess. 2014. "Electronic and Vibrational Properties of Meso-Tetraphenylporphyrin on Silver Substrates." Journal of Physical Chemistry A 118(37):8115-8123.  doi:10.1021/jp412360b

El-Khoury PZ, TW Ueltschi, AL Mifflin, D Hu, and WP Hess. 2014. "Frequency Resolved Nanoscale Chemical Imaging of 4,4'-Dimercaptostilbene on Silver." Journal of Physical Chemistry C 118(47):27525-27530.  doi:10.1021/jp509082c

Gao F, GG Muntean, CHF Peden, K Howden, N Currier, K Kamasamudram, A Kumar, J Li, J Luo, R Stafford, A Yezerets, M Castagnola, HY Chen, and H. Hess. 2014. "Enhanced High- and Low-Temperature Performance of NOx Reduction Catalyst Materials." Chapter III.4 in FY 2014 Progress Report for Advanced Combustion Engine Research and Development, vol. DOE/EE-1153, ed. G Singh, pp. III-19 - III-24.  US Department of Energy: Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Washington DC. 

Gong Y, AG Joly, L Kong, PZ El-Khoury, and WP Hess. 2014. "High Brightness Plasmon-Enhanced Nanostructured Gold Photoemitters." Physical Review Applied 2(6):Article No. 064012.  doi:10.1103/PhysRevApplied.2.064012

Gong Y, AG Joly, PZ El-Khoury, and WP Hess. 2014. "Interferometric Plasmonic Lensing with Nanohole Arrays." Journal of Physical Chemistry Letters 5(24):4243-4248.  doi:10.1021/jz502296n

Gong Y, AG Joly, PZ El-Khoury, and WP Hess. 2014. "Nonlinear Photoemission Electron Micrographs of Plasmonic Nanoholes in Gold Thin Films." Journal of Physical Chemistry C 118(44):25671-25676.  doi:10.1021/jp509900h

Henderson MA, and MH Engelhard. 2014. "Impact of a Mixed Oxide’s Surface Composition and Structure on Its Adsorptive Properties: Case of the (Fe,Cr)3O4(111) Termination of the a-(Fe,Cr)2O3(0001) Surface." Journal of Physical Chemistry C 118(50):29058-29067.  doi:10.1021/jp5038975

Henderson MA. 2014. "Influence of Adsorption Site and Wavelength on the Photodesorption of NO from the (Fe,Cr)3O4(111) Mixed Oxide Surface." Journal of Physical Chemistry C 118(36):21021-21030.  doi:10.1021/jp506602x

Henderson MA. 2014. "Roles of Fe2+, Fe3+, and Cr3+ Surface Sites in the Oxidation of NO on the (Fe,Cr)3O4(1 1 1) Surface Termination of an a-(Fe,Cr)2O3(0 0 0 1) Mixed Oxide." Journal of Catalysis 318:53-60.  doi:10.1016/j.jcat.2014.07.015

Hulley EB, ML Helm, and RM Bullock. 2014. "Heterolytic Cleavage of H2 by Bifunctional Manganese(I) Complexes: Impact of Ligand Dynamics, Electrophilicity, and Base Positioning." Chemical Science 5(12):4729-4741.  doi:10.1039/c4sc01801j

Johnson GE, KDD Gunaratne, and J Laskin. 2014. "In Situ SIMS and IR Spectroscopy of Well-Defined Surfaces Prepared by Soft Landing of Mass-Selected Ions ." Journal of Visualized Experiments (88): e51344.  doi:10.3791/51344

Johnson GE, TA Priest, and J Laskin. 2014. "Size-dependent stability toward dissociation and ligand binding energies of phosphine-ligated gold cluster ions." Chemical Science 5:3275-3286.  doi:10.1039/c4sc00849a

Kwak JH, RA Dagle, GC Tustin, JR Zoeller, LF Allard, and Y Wang. 2014. "Molecular Active Sites in Heterogeneous Ir-La/C Catalyzed Carbonylation of Methanol to Acetates." Journal of Physical Chemistry Letters 5(3):566-572.  doi:10.1021/jz402728e

Laskin J, and P Wang. 2014. "Charge Retention by Organometallic Dications on Self-Assembled Monolayer Surfaces." International Journal of Mass Spectrometry 365-366:187-193.  doi:10.1016/j.ijms.2014.01.012

Lee JH, JM Zachara, JK Fredrickson, SM Heald, JP McKinley, AE Plymale, CT Resch, and DA Moore. 2014. "Fe(II)- and Sulfide-Facilitated Reduction of 99Tc(VII)O4- in Microbially Reduced Hyporheic Zone Sediments." Geochimica et Cosmochimica Acta 136:247-264.  doi:10.1016/j.gca.2013.08.017

Lee MS, BP McGrail, and VA Glezakou. 2014. "Microstructural Response of Variably Hydrated Ca-Rich Montmorillonite to Supercritical CO2." Environmental Science & Technology 48(15):8612-8619.  doi:10.1021/es5005889

Lu J, SD Burton, Y Xu, GW Buchko, and WJ Shaw. 2014. "The flexible structure of the K24S28 region of Leucine-Rich Amelogenin Protein (LRAP) bound to apatites as a function of surface type, calcium, mutation, and ionic strength." Frontiers in Physiology 5:254.  doi:10.3389/fphys.2014.00254

Luo J, F Gao, DH Kim, and CHF Peden. 2014. "Effects of Potassium loading and thermal aging on K/Pt/Al2O3 high-temperature lean NOx trap catalysts." Catalysis Today 231:164-172.  doi:10.1016/j.cattod.2013.12.020

Miliordos E, and SS Xantheas. 2014. "Elucidating the mechanism behind the stabilization of multi-charged metal cations in water: A case study of the electronic states of microhydrated Mg2+, Ca2+ and Al3+”." Physical Chemistry Chemical Physics. PCCP 16(15):6886-6892.  doi:10.1039/C3CP53636J

Miliordos E, and SS Xantheas. 2014. "On the bonding nature of ozone (O3) and its sulfur-substituted analogues SO2, OS2 and S3: Correlation between their biradical character and molecular properties." Journal of the American Chemical Society 136(7):2808-2817.  doi:10.1021/ja410726u

Miliordos E, and SS Xantheas. 2014. "Unimolecular and hydrolysis channels for the detachment of water from microsolvated alkaline earth dication (Mg2+, Ca2+, Sr2+, Ba2+) clusters." Theoretical Chemistry Accounts 133(4):Article No. 1450.  doi:10.1007/s00214-014-1450-4

Miliordos E, E Apra, and SS Xantheas. 2014. "Benchmark Theoretical Study of the p-p Binding Energy in the Benzene Dimer." Journal of Physical Chemistry A 118(35):7568-7578.  doi:10.1021/jp5024235

Petrik NG, and GA Kimmel. 2014. "Probing the photochemistry of chemisorbed oxygen on TiO2(110) with Kr and other co-adsorbates." Physical Chemistry Chemical Physics. PCCP 16(6):2338-2346.  doi:10.1039/c3cp54195a

Petrik NG, RJ Monckton, S Koehler, and GA Kimmel. 2014. "Distance-dependent radiation chemistry: Oxidation versus hydrogenation of CO in electron-irradiated H2O/CO/H2O ices." Journal of Physical Chemistry C 118(47):27483-27492.  doi:10.1021/jp509785d

Petrik NG, RJ Monckton, S Koehler, and GA Kimmel. 2014. "Electron-stimulated reactions in layered CO/H2O films: Hydrogen atom diffusion and the sequential hydrogenation of CO to methanol." Journal of Chemical Physics 140(20):Article No. 204710.  doi:10.1063/1.4878658

Rousseau RJ, DA Dixon, BD Kay, and Z Dohnalek. 2014. "Dehydration, Dehydrogenation, and Condensation of Alcohols on Supported Oxide Catalysts Based on Cyclic (WO3)3 and (MoO3)3 Clusters." Chemical Society Reviews 43(22):7664-7680.  doi:10.1039/c3cs60445d

Shang J, C Liu, Z Wang, and JM Zachara. 2014. "Long-term Kinetics of Uranyl Desorption from Sediments Under Advective Conditions." Water Resources Research 50(2):855-870.  doi:10.1002/2013WR013949

Shi L, JK Fredrickson, and JM Zachara. 2014. "Genomic Analyses of Bacterial Porin-Cytochrome Gene Clusters." Frontiers in Microbiology 5:Article No. 657.  doi:10.3389/fmicb.2014.00657

Stolley RM, and ML Helm. 2014. "Light-harvesting materials: Soft support for energy conversion." Nature Chemistry 6:949-950.  doi:10.1038/nchem.2088

Stolley RM, JM Darmon, and ML Helm. 2014. "Solvent and Electrolyte Effects on Ni(PR2NR'2)2-Catalyzed Electrochemical Oxidation of Hydrogen." Chemical Communications 50(28):3681-3684.  doi:10.1039/c4cc00295d

Szanyi J, and JH Kwak. 2014. "Dissecting the steps of CO2 reduction: 1. The interaction of CO and CO2 with ?-Al2O3: an in situ FTIR study." Physical Chemistry Chemical Physics. PCCP 16(29):15117-15125.  doi:10.1039/c4cp00616j

Szanyi J, and JH Kwak. 2014. "Dissecting the steps of CO2 reduction: 2. The interaction of CO and CO2 with Pd/?-Al2O3: an in situ FTIR study." Physical Chemistry Chemical Physics. PCCP 16(29):15126-15138.  doi:10.1039/C4CP00617H

Szanyi J, CHF Peden, K Howden, CH Kim, SH Oh, and SJ Schmieg. 2014. "Thermally Stable Ultra-Low Temperature Oxidation Catalysts." Chapter III.12 in FY 2014 Progress Report for Advanced Combustion Engine Research and Development, vol. DOE/EE-1156, ed. G Singh, pp. III-61 - III-66.  US Department of Energy, Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Washington, DC. 

Wang D, SL Capehart, S Pal, M Liu, L Zhang, PJ Schuck, Y Liu, H Yan, MB Francis, and JJ De Yoreo. 2014. "Hierarchical Assembly of Plasmonic Nanostructures using Virus Capsid Scaffolds on DNA Origami Tiles." ACS Nano 8(8):7896-7904.  doi:10.1021/nn5015819

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Wiedner ES, and AM Appel. 2014. "Thermochemical Insight into the Reduction of CO to CH3OH with [Re(CO)]+ and [Mn(CO)]+ Complexes." Journal of the American Chemical Society 136(24):8661-8668.  doi:10.1021/ja502316e

Wiedner ES, and ML Helm. 2014. "Comparison of [Ni(PPh2NPh2)2(CH3CN)]2+ and [Pd(PPh2NPh2)2]2+ as Electrocatalysts for H2 Production." Organometallics 33(18):4617-4620.  doi:10.1021/om4010669

Xantheas SS, and JC Werhahn. 2014. "Universal scaling of potential energy functions describing intermolecular interactions. I. Foundations and scalable forms of new generalized Mie, Lennard-Jones, Morse, and Buckingham exponential-6 potentials." Journal of Chemical Physics 141(6):064117.  doi:10.1063/1.4891819

Abellan Baeza P, BL Mehdi, LR Parent, M Gu, C Park, W Xu, Y Zhang, I Arslan, J Zhang, CM Wang, JE Evans, and ND Browning. 2014. "Probing the Degradation Mechanisms in Electrolyte Solutions for Li-ion Batteries by In-Situ Transmission Electron Microscopy." Nano Letters 14(3):1293-1299.  doi:10.1021/nl404271k

Abellan Baeza P, TJ Woehl, LR Parent, ND Browning, JE Evans, and I Arslan. 2014. "Factors influencing quantitative liquid (scanning) transmission electron microscopy." Chemical Communications 50(38):4873-80.  doi:10.1039/c3cc48479c

Akagi S, IR Burling, A Mendoza, TJ Johnson, M Cameron, DWT Griffith, C Paton-Walsh, D Weise, J Reardon, and RJ Yokelson. 2014. "Field measurements of trace gases emitted by prescribed fires in southeastern U.S. pine forests using an open-path FTIR system." Atmospheric Chemistry and Physics 14(1):199-215.  doi:10.5194/acp-14-199-2014

Akagi S, RJ Yokelson, IR Burling, D Weise, J Reardon, S Urbanski, and TJ Johnson. 2014. "First Look at Smoke Emissions from Prescribed Burns in Long-unburned Longleaf Pine Forests." In Proceedings of 4th Fire Behavior and Fuels Conference, February 18-22, 2013, Raleigh, North Carolina and July 1-4, 2013, St. Petersburg, Russia, ed. DD Wade and RL Fox, pp. 23-25.  International Association of Wildland Fire, Missoula, MT. 

Akula M, PZ El-Khoury, A Nag, and A Bhattacharya. 2014. "Selective Zn2+ sensing using a modified bipyridine complex." RSC Advances 4(49):25605-25608.  doi:10.1039/C4RA00922C

Andersen A, SM Kathmann, MA Lilga, KO Albrecht, RT Hallen, and D Mei. 2014. "Effects of Potassium Doping on CO Hydrogenation Over MoS2 Catalysts: A First-Principles Investigation." Catalysis Communications 52:92-97.  doi:10.1016/j.catcom.2014.02.011

Anderson B, PM Warren, and KL Manke. 2014. PNNL Highlights for the Office of Basic Energy Sciences (July 2013-July 2014)PNNL-23552, Pacific Northwest National Laboratory, Richland, WA. 

Annapureddy HV, RK Motkuri, PT Nguyen, TB Truong, PK Thallapally, BP McGrail, and LX Dang. 2014. "Computational studies of adsorption in metal organic frameworks and interaction of nanoparticles in condensed phases." Molecular Simulation 40(7-9):571-584.  doi:10.1080/08927022.2013.829224

Appel AM, and ML Helm. 2014. "Determining the Overpotential for a Molecular Electrocatalyst." ACS Catalysis 4(2):630-633.  doi:10.1021/cs401013v

Baer M, DJ Tobias, and CJ Mundy. 2014. "Investigation of Interfacial and Bulk Dissociation of HBr, HCl, and HNO3 Using Density Functional Theory-Based Molecular Dynamics Simulations." Journal of Physical Chemistry C 118(50):29412-29420 .  doi:10.1021/jp5062896

Baer MD, IFW Kuo, DJ Tobias, and CJ Mundy. 2014. "Towards a unified picture of the water self-ions at the air-water interface: a density functional theory perspective." Journal of Physical Chemistry B 118(28):8364-8372.  doi:10.1021/jp501854h

Baer MD, JL Fulton, M Balasubramanian, GK Schenter, and CJ Mundy. 2014. "Persistent Ion Pairing in Aqueous Hydrochloric Acid." Journal of Physical Chemistry B 118(26):7211-7220.  doi:10.1021/jp501091h

Bays JT, N Priyadarshani, MS Jeletic, E Hulley, DL Miller, JC Linehan, and WJ Shaw. 2014. "The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts." ACS Catalysis 4(10):3663-3670.  doi:10.1021/cs5009199

Blake TA, TJ Johnson, RG Tonkyn, BM Forland, TL Myers, CS Brauer, and YF Su. 2014. "Quantitative Total and Diffuse Reflectance Laboratory Measurements for Remote, Standoff, and Point Sensing." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XV, May 5, 2014, Baltimore, Maryland. Proceedings of the SPIE, vol. 9073, ed. AW Fountain, p. Paper No. 907303.  SPIE, Bellingham, WA.  doi:10.1117/12.2054116

Bowden ME, KJ Alvine, JL Fulton, JP Lemmon, X Lu, BJM Webb-Robertson, SM Heald, M Balasubramanian, DR Mortensen, GT Seidler, and NJ Hess. 2014. "X-ray Absorption Measurements on Nickel Cathode of Sodium-beta Alumina batteries: Fe-Ni-CI Chemical Associations." Journal of Power Sources 247:517-526.  doi:10.1016/j.jpowsour.2013.08.046

Bullock RM, AM Appel, and ML Helm. 2014. "Production of Hydrogen by Electrocatalysis: Making the H-H Bond by Combining Protons and Hydrides." Chemical Communications 50(24):3125-3143.  doi:10.1039/c3cc46135a

Cao H, W He, Y Mao, X Lin, K Ishikawa, JH Dickerson, and WP Hess. 2014. "Recent progress in degradation and stabilization of organic solar cells." Journal of Power Sources 264:168-183.  doi:10.1016/j.jpowsour.2014.04.080

Chang TM, and LX Dang. 2014. "Computational Studies of [Bmim][PF6]/n-Alcohol Interfaces with Many-Body Potentials ." Journal of Physical Chemistry A 118(35):7186-7193.  doi:10.1021/jp405910k

Chen B, D Hrovat, S Deng, J Zhang, XB Wang, and W Borden. 2014. "The Negative Ion Photoelectron Spectrum of meta-Benzoquinone Radical Anion (MBQ·-): A Joint Experimental and Computational Study." Journal of the American Chemical Society 136(9):3589-3596.  doi:10.1021/ja412433t

Chen B, D Hrovat, RC West, S Deng, XB Wang, and W Borden. 2014. "The Negative Ion Photoelectron Spectrum of Cyclopropane-1,2,3-Trione Radical Anion (CO)(3)·- - A Joint Experimental and Computational Study." Journal of the American Chemical Society 136(35):12345-12354.  doi:10.1021/ja505582k

Chen L, Z Li, RS Smith, BD Kay, and Z Dohnalek. 2014. "Conversion of 1,2-Propylene Glycol on Rutile TiO2(110)." Journal of Physical Chemistry C 118(28):15339-15347.  doi:10.1021/jp504770f

Chen L, Z Li, RS Smith, BD Kay, and Z Dohnalek. 2014. "Conversion of 1,3-Propylene Glycol on Rutile TiO2(110)." Journal of Physical Chemistry C 118(40):23181-23188.  doi:10.1021/jp507787m

Chen L, Z Li, RS Smith, BD Kay, and Z Dohnalek. 2014. "Molecular Hydrogen Formation from Proximal Glycol Pairs on TiO2(110)." Journal of the American Chemical Society 136(15):5559-5562.  doi:10.1021/ja500992b

Chen S, MH Ho, RM Bullock, DL DuBois, M Dupuis, RJ Rousseau, and S Raugei. 2014. "Computing Free Energy Landscapes: Application to Ni-based Electrocatalysts with Pendant Amines for H2 Production and Oxidation." ACS Catalysis 4(1):229-242.  doi:10.1021/cs401104w

Choi YJ, E Ronnebro, SD Rassat, AJ Karkamkar, GD Maupin, JD Holladay, KL Simmons, and KP Brooks. 2014. "Kinetics Study of Solid Ammonia Borane Hydrogen Release - Modeling and Experimental Validation for Chemical Hydrogen Storage." Physical Chemistry Chemical Physics. PCCP 16(17):7959-7968.  doi:10.1039/C3CP55280B

Clikeman TT, EV Bukovsky, IV Kuvychko, LK San, S Deng, XB Wang, YS Chen, SH Strauss, and OV Boltalina. 2014. "Poly(trifluoromethyl)azulenes: structures and acceptor properties." Chemical Communications 50(47):6263-6266.  doi:10.1039/C4CC00510D

Craig NC, Y Chen, H van Besien, and TA Blake. 2014. "Analysis of the rotational structure in the high-resolution infrared spectra of trans-hexatriene-2-d1 and -3-d1." Journal of Molecular Spectroscopy 303:26-35.  doi:10.1016/j.jms.2014.07.001

Darmon JM, S Raugei, TL Liu, EB Hulley, CJ Weiss, RM Bullock, and ML Helm. 2014. "Iron Complexes for the Electrocatalytic Oxidation of Hydrogen: Tuning Primary and Secondary Coordination Spheres." ACS Catalysis 4(4):1246-1260.  doi:10.1021/cs500290w

Das PP, MH Ho, MJ O'Hagan, WJ Shaw, RM Bullock, S Raugei, and ML Helm. 2014. "Controlling Proton Movement: Electrocatalytic Oxidation of Hydrogen by a Nickel(II) Complex Containing Proton Relays in the Second and Outer Coordination Spheres." Dalton Transactions 43(7):2744-2754.  doi:10.1039/c3dt53074d

Das PP, RM Stolley, EF Van Der Eide, and ML Helm. 2014. "A Ni(II) Bis(diphosphine)-Hydride Complex Containing Proton Relays - Structural Characterization and Electrocatalytic Studies." European Journal of Inorganic Chemistry 27:4611-4618.  doi:10.1002/ejic.201402250

Dawson ML, ME Varner, VM Perraud, MJ Ezell, JM Wilson, A Zelenyuk, RB Gerber, and BJ Finlayson-Pitts. 2014. "Amine-Amine Exchange in Aminium-Methanesulfonate Aerosols." Journal of Physical Chemistry C 118(50):29431-29440.  doi:10.1021/jp506560w

Ding F, W Xu, X Chen, J Zhang, Y Shao, MH Engelhard, Y Zhang, TA Blake, GL Graff, X Liu, and J Zhang. 2014. "Effects of Cesium Cations in Lithium Deposition via Self-Healing Electrostatic Shield Mechanism." Journal of Physical Chemistry C 118(8):4043-4049.  doi:10.1021/jp4127754

Dixon DA, A Katz, I Arslan, and BC Gates. 2014. "Beyond relationships between homogeneous and heterogeneous catalysis ." Catalysis Letters 144(11):1785-1789.  doi:10.1007/s10562-014-1332-3

Dutta A, DL DuBois, JA Roberts, and WJ Shaw. 2014. "Amino acid modified Ni catalyst exhibits reversible H2 oxidation/production over a broad pH range at elevated temperatures." Proceedings of the National Academy of Sciences of the United States of America 111(46):16286-16291.  doi:10.1073/pnas.1416381111

Dutta A, JA Roberts, and WJ Shaw. 2014. "Arginine-Containing Ligands Enhance H-2 Oxidation Catalyst Performance." Angewandte Chemie International Edition 53(25):6487-6491.  doi:10.1002/anie.201402304

Edwards M, N Baiden, A Johs, SJ Tomanicek, L Liang, L Shi, JK Fredrickson, JM Zachara, AJ Gates, JN Butt, D Richardson, and TA Clarke. 2014. "The X-ray crystal structure of Shewanella oneidensis OmcA reveals new insight at the microbe-mineral interface." FEBS Letters 588(10):1886-1890.  doi:10.1016/j.febslet.2014.04.013

El-Khoury PZ, E Khon, Y Gong, AG Joly, P Abellan, JE Evans, ND Browning, D Hu, M Zamkov, and WP Hess. 2014. "Electric Field Enhancement in a Self-Assembled 2D Array of Silver Nanospheres." Journal of Chemical Physics 141(21):Article No. 214308.  doi:10.1063/1.4902905

Fang M, ES Wiedner, WG Dougherty, WS Kassel, TL Liu, DL DuBois, and RM Bullock. 2014. "Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2 Production." Organometallics 33(20):5820-5833.  doi:10.1021/om5004607

Fang M, MH Engelhard, Z Zhu, ML Helm, and JA Roberts. 2014. "Electrodeposition From Acidic Solutions of Nickel Bis(benzenedithiolate) Produces a Hydrogen-Evolving Ni-S Film on Glassy Carbon." ACS Catalysis 4(1):90-98.  doi:10.1021/cs400675u

Fang Z, Z Li, MS Kelley, BD Kay, S Li, JM Hennigan, RJ Rousseau, Z Dohnalek, and DA Dixon. 2014. "Oxidation, Reduction, and Condensation of Alcohols over (MO3)3 (M=Mo, W) Nanoclusters ." Journal of Physical Chemistry C 118(39):22620-22634.  doi:10.1021/jp5072132

Fernandez CA, PF Martin, HT Schaef, ME Bowden, PK Thallapally, LX Dang, W Xu, X Chen, and BP McGrail. 2014. "An Electrically Switchable Metal-Organic Framework." Scientific Reports 12(3):Article No. 6114 .  doi:10.1038/srep06114

Flores JM, R Washenfelder, G Adler, HJ Lee, L Segev, J Laskin, A Laskin, S Nizkorodov, S Brown, and Y Rudich. 2014. "Complex refractive indices in the near-ultraviolet spectral region of biogenic secondary organic aerosol aged with ammonia." Physical Chemistry Chemical Physics. PCCP 16(22):10629-10642.  doi:10.1039/C4CP01009D

Galan BR, ES Wiedner, ML Helm, JC Linehan, and AM Appel. 2014. "Effects of Phosphine-Carbene Substitutions on the Electrochemical and Thermodynamic Properties of Nickel Complexes." Organometallics 33(9):2287-2294.  doi:10.1021/om500206e

Gao F, ED Walter, M Kollar, Y Wang, J Szanyi, and CHF Peden. 2014. "Understanding ammonia selective catalytic reduction kinetics over Cu-SSZ-13 from motion of the Cu ions." Journal of Catalysis 319:1-14.  doi:10.1016/j.jcat.2014.08.010

Ginovska-Pangovska B, MH Ho, JC Linehan, Y Cheng, M Dupuis, S Raugei, and WJ Shaw. 2014. "Molecular Dynamics Study of the Proposed Proton Transport Pathways in [FeFe]-Hydrogenase." Biochimica et Biophysica Acta--Bioenergetics 1837(1):131-138.  doi:10.1016/j.bbabio.2013.08.004

Ginovska-Pangovska B, A Dutta, ML Reback, JC Linehan, and WJ Shaw. 2014. "Beyond the Active Site: The Impact of the Outer Coordination Sphere on Electrocatalysts for Hydrogen Production and Oxidation." Accounts of Chemical Research 47(8):2621-2630.  doi:10.1021/ar5001742

Gunaratne KDD, GE Johnson, A Andersen, D Du, W Zhang, V Prabhakaran, Y Lin, and J Laskin. 2014. "Controlling the Charge State and Redox Properties of Supported Polyoxometalates via Soft Landing of Mass Selected Ions." Journal of Physical Chemistry C 118(48):27611-27622.  doi:10.1021/jp505050m

He J, C Zhao, D Mei, and JA Lercher. 2014. "Mechanisms of Selective Cleavage of C-O Bonds in Di-aryl Ethers in Aqueous Phase." Journal of Catalysis 309:280-290.  doi:10.1016/j.jcat.2013.09.012

He J, C Zhao, and JA Lercher. 2014. "Impact of solvent for individual steps of phenol hydrodeoxygenation with Pd/C and HZSM-5 as catalysts." Journal of Catalysis 309:362-375.  doi:10.1016/j.jcat.2013.09.009

He J, L Lu, C Zhao, D Mei, and JA Lercher. 2014. "Mechanisms of Catalytic Cleavage of Benzyl Phenyl Ether in Aqueous and Apolar Phases." Journal of Catalysis 311:41-51.  doi:10.1016/j.jcat.2013.10.024

Heath BS, MJ Marshall, and J Laskin. 2014. "The Characterization of Living Bacterial Colonies Using Nanospray Desorption Electrospray Ionization Mass Spectrometry." In Engineering and Analyzing Multicellular Systems: Methods in Molecular Biology, vol. 1151, ed. L Sun and W Shou, pp. 199-208.  Springer, New York. 

Heiden ZM, S Chen, LAN Labios, RM Bullock, ED Walter, EL Tyson, and MT Mock. 2014. "Proton and Electron Additions to Iron (II) Dinitrogen Complexes Containing Pendant Amines." Organometallics 33(6):1333-1336.  doi:10.1021/om401089d

Heldebrant DJ, VA Glezakou, PK Koech, PM Mathias, D Cantu Cantu, RJ Rousseau, D Malhotra, M Bhakta, MD Bearden, CJ Freeman, and F Zheng. 2014. "Evaluating transformational solvent systems for post-combustion CO2 separations." Energy Procedia 63:8144-8152.  doi:10.1016/j.egypro.2015.12.336

Hou J, M Fang, AJ Cardenas, WJ Shaw, ML Helm, RM Bullock, JA Roberts, and MJ O'Hagan. 2014. "Electrocatalytic H2 production with a turnover frequency >107 s-1: The medium provides an increase in rate but not overpotential." Energy and Environmental Science 7(12):4013 - 4017.  doi:10.1039/c4ee01899k

Hu Q, and J Laskin. 2014. "Reactive Landing of Dendrimer Ions onto Activated Self-assembled Monolayer Surfaces." Journal of Physical Chemistry C 118(5):2602-2608.  doi:10.1021/jp411637w

Jeletic MS, ML Helm, EB Hulley, MT Mock, AM Appel, and JC Linehan. 2014. "A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation." ACS Catalysis 4(10):3755-3762.  doi:10.1021/cs5009927

Jin J, JD Miller, and LX Dang. 2014. "Molecular Dynamics Simulation and Analysis of Interfacial Water at Selected Sulfide Mineral Surfaces under Anaerobic Conditions." International Journal of Mineral Processing 128:55-67.  doi:10.1016/j.minpro.2014.03.001

Johnson TJ, BE Bernacki, RL Redding, YF Su, CS Brauer, TL Myers, and EG Stephan. 2014. "Intensity-Value Corrections for Integrating Sphere Measurements of Solid Samples Measured behind Glass." Applied Spectroscopy 68(11):1224-1234.  doi:10.1366/13-07322

Kathmann SM, HM Cho, TM Chang, GK Schenter, KK Parab, and T Autrey. 2014. "Experimental and Theoretical Study of Molecular Response of Amine Bases in Organic Solvents ." Journal of Physical Chemistry B 118(18):4883-4888.  doi:10.1021/jp500821u

Kelly JF, RL Sams, TA Blake, and JM Kriesel. 2014. "Further developments of capillary absorption spectrometers using small hollow-waveguide fibers." In Quantum Sensing and Nanophotonic Devices XI, February 1, 2014, San Francisco, California. Proceedings of the SPIE, vol. 8993, ed. M Razeghi, E Tournie and GJ Brown, p. Paper No. 89931O.  SPIE, Bellingham, WA.  doi:10.1117/12.2042734

Kim B, Z Li, BD Kay, Z Dohnalek, and YK Kim. 2014. "Low-Temperature Desorption of N2O from NO on Rutile TiO2(110)-1x1." Journal of Physical Chemistry C 118(18):9544-9550.  doi:10.1021/jp501179y

Kim DH, KK Mudiyanselage, J Szanyi, JC Hanson, and CHF Peden. 2014. "Effect of H2O on the morphological changes of KNO3 formed on K2O/Al2O3 NOx storage materials: Fourier transform infra-red (FTIR) and time-resolved x-ray diffraction (TR-XRD) studies." Journal of Physical Chemistry C 118(8):4189-4197.  doi:10.1021/jp410816r

Kimmel GA, T Zubkov, RS Smith, NG Petrik, and BD Kay. 2014. "Turning things downside up: Adsorbate induced water flipping on Pt(111)." Journal of Chemical Physics 141(18):18C515.  doi:10.1063/1.4896226

Knappenberger, Jr. KL, GE Johnson, and MA El-Sayed. 2014. "Tribute to A. W. Castleman, Jr." Journal of Physical Chemistry A 118(37):8011-8013.  doi:10.1021/jp501364m

Kong L, AG Joly, TC Droubay, Y Gong, and WP Hess. 2014. "Enhanced Quantum Efficiency From Hybrid Cesium Halide/Copper Photocathode." Applied Physics Letters 104(17):Article No. 171106.  doi:10.1063/1.4874339

Kovarik L, ME Bowden, A Genc, J Szanyi, CHF Peden, and JH Kwak. 2014. "Structure of d-Alumina: Toward The Atomic Level Understanding Of Transition Alumina Phases." Journal of Physical Chemistry C 118:18051-18058.  doi:10.1021/jp500051j

Kumar N, DM Camaioni, M Dupuis, S Raugei, and AM Appel. 2014. "Mechanistic Insights into Hydride Transfer for Catalytic Hydrogenation of CO2 with Cobalt Complexes." Dalton Transactions 43(31):11803-11806.  doi:10.1039/c4dt01551g

Kwak JH, T Varga, CHF Peden, F Gao, JC Hanson, and J Szanyi. 2014. "Following the movement of Cu ions in a SSZ-13 zeolite during dehydration, reduction and adsorption: a combined in situ TP-XRD, XANES/DRIFTS study." Journal of Catalysis 314(1):83-93.  doi:10.1016/j.jcat.2014.03.003

Kwak JH, and J Szanyi. 2014. "15N2 formation and fast oxygen isotope exchange during pulsed 15N18O exposure of MnOx/CeO2." Chemical Communications 50(95):14998-15001.  doi:10.1039/c4cc05427j

Lanekoff IT, M Thomas, and J Laskin. 2014. "Shotgun Approach for Quantitative Imaging of Phospholipids Using Nanospray Desorption Electrospray Ionization Mass Spectrometry ." Analytical Chemistry 86(3):1872-1880.  doi:10.1021/ac403931r

Lanekoff IT, S Stevens, M Stenzel-Poore, and J Laskin. 2014. "Matrix Effects in Biological Mass Spectrometry Imaging: Identification and Compensation." Analyst 139(14):3528-3532.  doi:10.1039/C4AN00504J

Laskin J, A Laskin, S Nizkorodov, PJ Roach, PA Eckert, MK Gilles, B Wang, HJ Lee, and Q Hu. 2014. "Molecular Selectivity of Brown Carbon Chromophores." Environmental Science & Technology 48(20):12047-12055.  doi:10.1021/es503432r

Laws DR, RM Bullock, R Lee, KW Huang, and WJ Geiger. 2014. "Comparison of the One-electron Oxidations of CO-Bridged vs Unbridged Bimetallic Complexes: Electron-transfer Chemistry of Os2Cp2(CO)4 and Os2Cp*2(µ-CO)2(CO)2 (Cp = ?5-C5H5, Cp* = ?5-C5Me5)." Organometallics 33(18):4716-4728.  doi:10.1021/om401213y

Lee HJ, KT McDonnell, A Zelenyuk, D Imre, and K Mueller. 2014. "A Structure-Based Distance Metric for High-Dimensional Space Exploration with Multi-Dimensional Scaling." IEEE Transactions on Visualization and Computer Graphics 20(3):351-364.  doi:10.1109/TVCG.2013.101

Lee HJ, PK Aiona, A Laskin, J Laskin, and S Nizkorodov. 2014. "Effect of Solar Radiation on the Optical Properties and Molecular Composition of Laboratory Proxies of Atmospheric Brown Carbon ." Environmental Science & Technology 48(17):10217-10226.  doi:10.1021/es502515r

Lense SJ, A Dutta, JA Roberts, and WJ Shaw. 2014. "A Proton Channel Allows a Hydrogen Oxidation Catalyst to Operate at a Moderate Overpotential with Water Acting as a Base." Chemical Communications 50(7):792-795.  doi:10.1039/C3CC46829A

Lercher JA, AM Appel, T Autrey, RM Bullock, DM Camaioni, HM Cho, DA Dixon, Z Dohnalek, F Gao, VA Glezakou, MA Henderson, JZ Hu, E Iglesia, AJ Karkamkar, BD Kay, GA Kimmel, JC Linehan, J Liu, I Lyubinetsky, D Mei, CHF Peden, RJ Rousseau, GK Schenter, WJ Shaw, J Szanyi, H Wang, Y Wang, and RS Weber. 2014. "Multifunctional Catalysts to Synthesize and Utilize Energy Carriers." In Frontiers at the Interface between Homogeneous and Heterogeneous Catalysis, II, pp. 207-219.  U.S. Department of Energy, Office of Science, Washington, DC. 

Lewandowska-Androlojc A, DC Grills, J Zhang, RM Bullock, A Miyazawa, Y Kawanishi, and E Fujita. 2014. "Kinetic and Mechanistic Studies of Carbon-to-Metal Hydrogen Atom Transfer Involving Os-Centered Radicals: Evidence for Tunneling." Journal of the American Chemical Society 135(9):3572-3578.  doi:10.1021/ja4123076

Li WZ, L Kovarik, D Mei, MH Engelhard, F Gao, J Liu, Y Wang, and CHF Peden. 2014. "A general mechanism for stabilizing the small sizes of precious metal nanoparticles on oxide supports." Chemistry of Materials 26(19):5475-5481.  doi:10.1021/cm5013203

Li Y, Z Wei, F Gao, L Kovarik, CHF Peden, and Y Wang. 2014. "Effects of CeO2 Support Facets on VOx/CeO2 Catalysts in Oxidative Dehydrogenation of Methanol." Journal of Catalysis 315(1):15-24.  doi:10.1016/j.jcat.2014.04.013

Li Z, Z Fang, MS Kelley, BD Kay, RJ Rousseau, Z Dohnalek, and DA Dixon. 2014. "Ethanol Conversion on Cyclic (MO3)3 (M = Mo, W) Clusters." Journal of Physical Chemistry C 118(9):4869-4877.  doi:10.1021/jp500255f

Liu C, J Shang, H Shan, and JM Zachara. 2014. "Effect of Subgrid Heterogeneity on Scaling Geochemical and Biogeochemical Reactions: A Case of U(VI) Desorption." Environmental Science & Technology 48(3):1745-1752.  doi:10.1021/es404224j

Liu TL, M Rakowski DuBois, DL DuBois, and RM Bullock. 2014. "Electrochemical Oxidation of H2 Catalyzed by Ruthenium Hydride Complexes Bearing P2N2 Ligands With Pendant Amines as Proton Relays." Energy and Environmental Science 7(11):3630-3639.  doi:10.1039/C4EE01262C

Liu TL, X Wang, C Hoffmann, DL DuBois, and RM Bullock. 2014. "Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe-H - - - H-N Dihydrogen Bond Characterized by Neutron Diffraction." Angewandte Chemie International Edition 53(21):5300-5304.  doi:10.1002/anie.201402090

Liu Y, Z Wang, J Liu, C Levar, M Edwards, JT Babauta, DW Kennedy, Z Shi, H Beyenal, DR Bond, TA Clarke, JN Butt, DJ Richardson, KM Rosso, JM Zachara, JK Fredrickson, and L Shi. 2014. "A trans-outer membrane porin-cytochrome protein complex for extracellular electron transfer by Geobacter sulfurreducens PCA." Environmental Microbiology Reports 6(6):776-785.  doi:10.1111/1758-2229.12204

Ma L, W Chen, G Schatte, W Wang, AG Joly, Y Huang, R Sammynaiken, and M Hossu. 2014. "A new Cu-cysteamine complex: structure and optical properties." Journal of Materials Chemistry C 2(21):4239-4246.  doi:10.1039/C4TC00114A

Ma R, C Liu, J Greskowiak, H Prommer, JM Zachara, and C Zheng. 2014. "Influence of calcite on uranium(VI) reactive transport in the groundwater-river mixing zone." Journal of Contaminant Hydrology 156:27-37.  doi:10.1016/j.jconhyd.2013.10.002

Ma R, C Zheng, C Liu, J Greskowiak, H Prommer, and JM Zachara. 2014. "Assessment of Controlling Processes for Field-Scale Uranium Reactive Transport under Highly Transient Flow Conditions." Water Resources Research 50(2):1006-1024.  doi:10.1002/2013WR013835

Mehdi BL, M Gu, LR Parent, W Xu, EN Nasybulin, X Chen, RR Unocic, P Xu, DA Welch, P Abellan, J Zhang, J Liu, CM Wang, I Arslan, JE Evans, and ND Browning. 2014. "In Situ Electrochemical Transmission Electron Microscopy for Battery Research." Microscopy and Microanalysis 20(2):484-492.  doi:10.1017/S1431927614000488

Mei D, VA Glezakou, VMC Lebarbier, L Kovarik, H Wan, KO Albrecht, MA Gerber, RJ Rousseau, and RA Dagle. 2014. "Highly Active and Stable MgAl2O4 Supported Rh and Ir Catalysts for Methane Steam Reforming: A Combined Experimental and Theoretical Study." Journal of Catalysis 316:11-23.  doi:10.1016/j.jcat.2014.04.021

Molinero V, and BD Kay. 2014. "Preface: Special Topic on Interfacial and Confined Water." Journal of Chemical Physics 141(18):Article No. 18C101.  doi:10.1063/1.4900822

Motkuri RK, HV Annapureddy, M Vijayakumar, HT Schaef, PF Martin, BP McGrail, LX Dang, R Krishna, and PK Thallapally. 2014. "Fluorocarbon Adsorption in Hierarchical Porous Frameworks." Nature Communications 5:Article No. 4368.  doi:10.1038/ncomms5368

Mu R, D Cantu Cantu, X Lin, VA Glezakou, Z Wang, I Lyubinetsky, RJ Rousseau, and Z Dohnalek. 2014. "Dimerization Induced Deprotonation of Water on RuO2(110)." The Journal of Physical Chemistry Letters 5(19):3445-3450.  doi:10.1021/jz501810g

Mu X, T Song, M Xu, CK Lai, CK Siu, J Laskin, and IK Chu. 2014. "Discovery and Mechanistic Studies of Facile N-Terminal Ca-C Bond Cleavages in the Dissociation of Tyrosine-Containing Peptide Radical Cations." Journal of Physical Chemistry B 118(16):4273-4281.  doi:10.1021/jp410525f

Myers TL, CS Brauer, YF Su, TA Blake, TJ Johnson, and RL Richardson. 2014. "The Influence of Particle Size on Infrared Reflectance Spectra." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XX, May 5, 2014, Baltimore, Maryland. Proceedings of the SPIE, vol. 9088, ed. M Velez-Reyes and FA Kruse, p. Paper No. 908809.  SPIE, Bellingham, WA.  doi:10.1117/12.2053350

Myers TL, BD Cannon, CS Brauer, B Crowther, and S Hansen. 2014. "Qualification of quantum cascade lasers for space environments." In Sensors for Extreme Harsh Environments, May 5, 2014, Baltimore, Maryland. Proceedings of SPIE, vol. 9113, ed. DG Senesky and S Dekate, p. Paper No. 91130Q.  SPIE , Bellingham, WA.  doi:10.1117/12.2053335

Nguyen VT, PT Nguyen, LX Dang, D Mei, CD Wick, and DD Do. 2014. "A Comparative Study of the Adsorption of Water and Methanol in Zeolite BEA: A Molecular Simulation Study." Molecular Simulation 40(14):1113-1124.  doi:10.1080/08927022.2013.848280

Nielsen MH, D Li, H Zhang, S Aloni, YJ Han, C Frandsen, JM Seto, JF Banfield, H Colfen, and JJ De Yoreo. 2014. "Investigating Processes of Nanocrystal Formation and Transformation via Liquid Cell TEM." Microscopy and Microanalysis 20(02):425-436.  doi:10.1017/S1431927614000294

Norton JR, T Spataru, DM Camaioni, SJ Lee, G Li, J Choi, and JA Franz. 2014. "Kinetics and Mechanism of the Hydrogenation of CpCr(CO)3·/[CpCr(CO)3]2 Equilibrium to CpCr(CO)3H." Organometallics 33(10):2496-2502.  doi:10.1021/om4012399

Nova I, B Epling, and CHF Peden. 2014. "Preface: Challenges for Catalytic Exhaust Aftertreatment." Catalysis Today 231(1):1-2.  doi:10.1016/j.cattod.2014.02.017

O'Brien RE, A Laskin, J Laskin, CL Rubitschun, JD Surratt, and AH Goldstein. 2014. "Molecular Characterization of S- and N-containing Organic Constituents in Ambient Aerosols by negative ion mode High-Resolution Nanospray Desorption Electrospray Ionization Mass Spectrometry: CalNex 2010 field study." Journal of Geophysical Research. D. (Atmospheres) 119(22):12,706-12,720.  doi:10.1002/2014JD021955

Olivares AM, J Laskin, and GE Johnson. 2014. "Investigating the Synthesis of Ligated Metal Clusters in Solution Using a Flow Reactor and Electrospray Ionization Mass Spectrometry." Journal of Physical Chemistry A 118(37):8464-8470.  doi:10.1021/jp501809r

Parent LR, DB Robinson, PJ Cappillino, RJ Hartnett, P Abellan, JE Evans, ND Browning, and I Arslan. 2014. "In Situ Observation of Directed Nanoparticle Aggregation During the Synthesis of Ordered Nanoporous Metal in Soft Templates." Chemistry of Materials 26(3):1426-1433.  doi:10.1021/cm4035209

Partenheimer W, JL Fulton, CM Sorensen, VT Pham, and Y Chen. 2014. "The Aerobic Oxidation of Bromide to Dibromine Catalyzed by Homogeneous Oxidation Catalysts and Initiated by Nitrate in Acetic Acid." Journal of Molecular Catalysis. A, Chemical. 387:130-137.  doi:10.1016/j.molcata.2014.02.026

Peterson E, A DelaRiva, S Lin, RS Johnson, H Guo, J Miller, JH Kwak, CHF Peden, B Kiefer, LF Allard, F Ribeiro, and AK Datye. 2014. "Low-Temperature Carbon Monoxide Oxidation Catalysed by Regenerable Atomically Dispersed Palladium on Alumina." Nature Communications 5:Article No. 4885.  doi:10.1038/ncomms5885

Pluharova E, MD Baer, CJ Mundy, B Schmidt, and P Jungwirth. 2014. "Aqueous Cation-Amide Binding: Free Energies and IR Spectral Signatures by Ab Initio Molecular Dynamics." Journal of Physical Chemistry Letters 5(13):2235-2240.  doi:10.1021/jz500976m

Pradzynski CC, CW Dierking, F Zurheide, RM Forck, U Buck, T Zeuch, and SS Xantheas. 2014. "Infrared detection of (H2O)20 isomers of exceptional stability: a drop-like and a face-sharing pentagonal prism cluster." Physical Chemistry Chemical Physics. PCCP 16(48):26691-26696.  doi:10.1039/c4cp03642e

Pratihar S, SC Kohale, DG Bhakta, J Laskin, and WL Hase. 2014. "Dynamics of Energy Transfer and Soft-Landing in Collisions of Protonated Dialanine with Perfluorinated Self-Assembled Monolayer Surfaces." Physical Chemistry Chemical Physics. PCCP 16(43):23769-23778.  doi:10.1039/C4CP03535F

Reback ML, GW Buchko, BL Kier, B Ginovska-Pangovska, Y Xiong, S Lense, J Hou, JA Roberts, CM Sorensen, S Raugei, TC Squier, and WJ Shaw. 2014. "Enzyme Design From the Bottom Up: An Active Nickel Electrocatalyst with a Structured Peptide Outer Coordination Sphere." Chemistry - A European Journal 20(6):1510-1514.  doi:10.1002/chem.201303976

Remsing RC, MD Baer, GK Schenter, CJ Mundy, and JD Weeks. 2014. "The role of broken symmetry in solvation of a spherical cavity in classical and quantum water models ." Journal of Physical Chemistry Letters 5(16):2767-2774.  doi:10.1021/jz501067w

Ribeiro F, N Delgass, R Gounder, WF Schneider, J Miller, A Yezerets, JS McEwen, CHF Peden, and K Howden. 2014. "Understanding NOx SCR Mechanism and Activity on Cu/Chabazite Structures throughout the Catalyst Life Cycle." Chapter III.13 in FY 2014 Progress Report for the Advanced Combustion Engine Research and Development, vol. DOE/EE-1156, pp. 67-70.  US Department of Energy. Energy Efficiency and Renewable Energy: Vehicle Technologies Office, Washington, DC. 

Roehling JD, CW Rochester, HW Ro, P Wang, J Majewski, KJ Batenburg, I Arslan, DM Delongchamp, and AJ Moule. 2014. "Material Profile Influences in Bulk-Heterojunctions." Journal of Polymer Science. Part B, Polymer Physics 52(19):1291-1300.  doi:10.1002/polb.23564

Roldin P, AC Eriksson, EZ Nordin, E Hermansson, D Mogensen, A Rusanen, M Boy, E Swietlicki, B Svenningsson, A Zelenyuk, and J Pagels. 2014. "Modelling non-equilibrium secondary organic aerosol formation and evaporation with the aerosol dynamics, gas- and particle-phase chemistry kinetic multilayer model ADCHAM." Atmospheric Chemistry and Physics 14(15):7953-7993.  doi:10.5194/acp-14-7953-2014

Runnebaum RC, X Ouyang, JA Edsinga, T Rea, I Arslan, SJ Hwang, SI Zones, and A Katz. 2014. "Role of Delamination in Zeolite-Catalyzed Aromatic Alkylation: UCB-3 versus 3-D Al-SSZ-70." ACS Catalysis 4(7):2364-2368.  doi:10.1021/cs500285w

Sahu N, SR Gadre, P Bandyopadhyay, E Miliordos, and SS Xantheas. 2014. "Low energy isomers of (H2O)25 from a hierarchical method based on Monte Carlo Temperature Basin Paving and Molecular Tailoring Approaches benchmarked by full MP2 calculations." Journal of Chemical Physics 141(16):164304.  doi:10.1063/1.4897535

Samet M, XB Wang, and SR Kass. 2014. "A Preorganized Hydrogen Bond Network and Its Effect on Anion Stability." Journal of Physical Chemistry A 118(31):5989-5993.  doi:10.1021/jp505308v

Schaef HT, VA Glezakou, AT Owen, S Ramprasad, PF Martin, and BP McGrail. 2014. "Surface Condensation of CO2 onto Kaolinite." Environmental Science & Technology Letters 1(2):142-145.  doi:10.1021/ez400169b

Schaef HT, CL Davidson, AT Owen, QR Miller, JS Loring, CJ Thompson, DH Bacon, VA Glezakou, and BP McGrail. 2014. "CO2 Utilization and Storage in Shale Gas Reservoirs: Experimental Results and Economic Impacts." Energy Procedia 63:7844-7851.  doi:10.1016/j.egypro.2014.11.819

Segal Rozenhaimer M, PB Russell, B Schmid, J Redemann, JM Livingston, CJ Flynn, RR Johnson, S Dunagan, Y Shinozuka, JR Herman, A Cede, N Abuhassan, JM Comstock, JM Hubbe, A Zelenyuk, and JM Wilson. 2014. "Tracking Elevated Pollution Layers with a Newly Developed Hyperspectral Sun/Sky Spectrometer (4STAR): Results from the TCAP 2012 and 2013 Campaigns." Journal of Geophysical Research. D. (Atmospheres) 119(5):2611-2628.  doi:10.1002/2013JD020884

Sellner B, and SM Kathmann. 2014. "A Matter of Quantum Voltages." Journal of Chemical Physics 141(18):Article No. 18C534.  doi:10.1063/1.4898797

Shantz NC, I Gultepe, E Andrews, A Zelenyuk, M Earle, AM MacDonald, PS Liu, and WR Leaitch. 2014. "Optical, physical, and chemical properties of springtime aerosol over Barrow Alaska in 2008." International Journal of Climatology 34(10):3125-3138.  doi:10.1002/joc.3898

Shokri A, S Deng, XB Wang, and SR Kass. 2014. "Molecular Recognition: Preparation and Characterization of Two Tripodal Anion Receptors." Organic Chemistry Frontiers 1(1):54-61.  doi:10.1039/C3QO00009E

Smith RS, J Matthiesen, and BD Kay. 2014. "Desorption Kinetics of Methanol, Ethanol, and Water from Graphene." Journal of Physical Chemistry A 118(37):8242-8250.  doi:10.1021/jp501038z

Smith RS, Z Li, L Chen, Z Dohnalek, and BD Kay. 2014. "Adsorption, Desorption, and Displacement Kinetics of H2O and CO2 on TiO2(110)." Journal of Physical Chemistry B 118(28):8054-8061.  doi:10.1021/jp501131v

Smith RS, Z Li, Z Dohnalek, and BD Kay. 2014. "Adsorption, Desorption, and Displacement Kinetics of H2O and CO2 on Forsterite, Mg2SiO4(011) ." Journal of Physical Chemistry C 118(50):29091-29100.  doi:10.1021/jp504187y

Stevens AJ, H Yang, L Carin, I Arslan, and ND Browning. 2014. "The Potential for Bayesian Compressive Sensing to Significantly Reduce Electron Dose in High Resolution STEM Images." Journal of Electron Microscopy 63(1):41 - 51.  doi:10.1093/jmicro/dft042

Stewart ML, A Zelenyuk, F Gao, GG Muntean, CHF Peden, KG Rappe, J Szanyi, and K Howden. 2014. "CLEERS Aftertreatment Modeling and Analysis." Chapter III.3 in FY 2014 Progress Report for Advanced Combustion Engine Research and Development, vol. DOE/EE-1156, ed. G Singh, pp. III-13 - III-18.  US Department of Energy: Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Washington, DC. 

Stinson JL, SM Kathmann, and IJ Ford. 2014. "Dynamical consequences of a constraint on the Langevin thermostat in molecular cluster simulation." Molecular Physics 112(22):2920-2923.  doi:10.1080/00268976.2014.917732

Stinson JL, SM Kathmann, and IJ Ford. 2014. "Investigating the significance of zero-point motion in small molecular clusters of sulphuric acid and water." Journal of Chemical Physics 140(2):024306.  doi:10.1063/1.4860973

Su YF, TL Myers, CS Brauer, TA Blake, BM Forland, JE Szecsody, and TJ Johnson. 2014. "Infrared reflectance spectra: Effects of particle size, provenance and preparation ." In Optics and Photonics for Counterterrorism, Crime Fighting, and Defence X; and Optical Materials and Biomaterials in Security and Defence Systems Technology XI, vol. 9253, p. Art. No. 925304.  Douglas Burgess, Roberto Zamboni, et al, Amsterdam, Netherlands.  doi:10.1117/12.2069954

Szanyi J, AM Karim, LR Pederson, JH Kwak, D Mei, DN Tran, DR Herling, GG Muntean, CHF Peden, K Howden, G Qi, and W Li. 2014. "Investigation of Mixed Oxide Catalysts for NO Oxidation." Chapter 3 in FY 2014 Progress Report for Advanced Combustion Engine Research and Development, vol. DOE/EE-1156, ed. G Singh, pp. III-25 - III-29.  US Department of Energy, Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Washington, DC. 

Tao S, X Lu, NA Levac, AP Bateman, TB Nguyen, DL Bones, S Nizkorodov, J Laskin, A Laskin, and X Yang. 2014. "Molecular Characterization of Organosulfates in Organic Aerosols from Shanghai and Los Angeles Urban Areas by Nanospray-Desorption Electrospray Ionization High-Resolution Mass Spectrometry." Environmental Science & Technology 48(18):10993-11001.  doi:10.1021/es5024674

Vasdekis AE, MJ Wilkins, JW Grate, RT Kelly, A Konopka, SS Xantheas, and MT Chang. 2014. "Solvent Immersion Imprint Lithography." Lab on a Chip 14(12):2072-2080.  doi:10.1039/C4LC00226A

Vjunov A, JL Fulton, T Huthwelker, S Pin, D Mei, GK Schenter, N Govind, DM Camaioni, JZ Hu, and JA Lercher. 2014. "Quantitatively Probing the Al Distribution in Zeolites." Journal of the American Chemical Society 136(23):8296-8306.  doi:10.1021/ja501361v

Vjunov A, MY Hu, J Feng, DM Camaioni, D Mei, JZ Hu, C Zhao, and JA Lercher. 2014. "Following Solid-Acid-Catalyzed Reactions by MAS NMR Spectroscopy in Liquid Phase -Zeolite-Catalyzed Conversion of Cyclohexanol in Water." Angewandte Chemie International Edition 53(2):479-482.  doi:10.1002/anie.201306673

Wang D, F Gao, CHF Peden, J Li, K Kamasamudram, and WS Epling. 2014. "Selective catalytic reduction of NOx with NH3 over a Cu-SSZ-13 catalyst prepared by a solid state ion exchange method." ChemCatChem 6(6):1579-1583.  doi:10.1002/cctc.201402010

Wang Z, JM Zachara, J Shang, C Jeon, J Liu, and C Liu. 2014. "Investigation of U(VI) Adsorption in Quartz-Chlorite Mineral Mixtures." Environmental Science & Technology 48(14):7766-7773.  doi:10.1021/es500537g

Weiss CJ, JD Egbert, S Chen, ML Helm, RM Bullock, and MT Mock. 2014. "Protonation Studies of a Tungsten Dinitrogen Complex Supported by a Diphosphine Ligand Containing a Pendant Amine." Organometallics 33(9):21859-2200.  doi:10.1021/om401127v

Weiss CJ, PP Das, DLM Higgins, ML Helm, and AM Appel. 2014. "Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines." ACS Catalysis 4(9):2951-2958.  doi:10.1021/cs500853f

Werhahn JC, D Akase, and SS Xantheas. 2014. "Universal scaling of potential energy functions describing intermolecular interactions. II. The halide-water and alkali metal-water interactions." Journal of Chemical Physics 141(6):064118.  doi:10.1063/1.4891820

Woehl TJ, C Park, JE Evans, I Arslan, WD Ristenpart, and ND Browning. 2014. "Direct Observation of Aggregative Nanoparticle Growth: Kinetic Modeling of the Size Distribution and Growth Rate." Nano Letters 14(1):373-378.  doi:10.1021/nl4043328

Yadav M, JC Linehan, AJ Karkamkar, EF Van Der Eide, and DJ Heldebrant. 2014. "Homogeneous Hydrogenation of CO2 to Methyl Formate Utilizing Switchable Ionic Liquids." Inorganic Chemistry 53(18):9849-9854.  doi:10.1021/ic501378w

Yoon Y, RJ Rousseau, RS Weber, D Mei, and JA Lercher. 2014. "First-principles Study of Phenol Hydrogenation on Pt and Ni Catalysts in Aqueous Phase." Journal of the American Chemical Society 136(29):10287-10298.  doi:10.1021/ja501592y

Yoshida T, WA Farone, and SS Xantheas. 2014. "Isomers and conformational barriers of gas phase nicotine, nornicotine and their protonated forms ." Journal of Physical Chemistry B 118(28):8273-8285.  doi:10.1021/jp501646p

Yu L, J Smith, A Laskin, CN Anastasio, J Laskin, and Q Zhang. 2014. "Chemical characterization of SOA formed from aqueous-phase reactions of phenols with the triplet excited state of carbonyl and hydroxyl radical." Atmospheric Chemistry and Physics 14(24):13801-13816.  doi:10.5194/acp-14-13801-2014

Zelenyuk A, P Reitz, ML Stewart, D Imre, P Loeper, C Adams, M Andrie, D Rothamer, DE Foster, K Narayanaswamy, PM Najt, and AS Solomon. 2014. "Detailed Characterization of Particulates Emitted by Pre-Commercial Single-Cylinder Gasoline Compression Ignition Engine." Combustion and Flame 161(8):2151-2164.  doi:10.1016/j.combustflame.2014.01.011

Zhang J, P Yang, Z Sun, and XB Wang. 2014. "Covalently Bound Tetracoordinated Organoborons are Superhalogens: A Combined Negative Ion Photoelectron Spectroscopy and Theoretical Study." Journal of Physical Chemistry A 118(37):8074-8080.  doi:10.1021/jp410009a

Zhang R, JS McEwen, M Kollar, F Gao, Y Wang, J Szanyi, and CHF Peden. 2014. "NO Chemisorption on Cu/SSZ-13: a Comparative Study from Infrared Spectroscopy and DFT Calculations." ACS Catalysis 4(11):4093-4105.  doi:10.1021/cs500563s

Zhang W, D Du, KDD Gunaratne, RJ Colby, Y Lin, and J Laskin. 2014. "Polyoxometalate-Graphene Nanocomposite Modified Electrode for Electrocatalytic Detection of Ascorbic Acid." Electroanalysis 26(1):178-183.  doi:10.1002/elan.201300343


Annapureddy HV, and LX Dang. 2013. "Pairing mechanism among ionic liquid ions in aqueous solutions. A molecular dynamics study." Journal of Physical Chemistry B 117(28):8555-8560.  doi:10.1021/jp404839w

Buchko GW, G Lin, BJ Tarasevich, and WJ Shaw. 2013. "A solution NMR investigation into the impaired self-assembly properties of two murine amelogenins containing the point mutations T21?I or P41?T." Archives of Biochemistry and Biophysics 537(2):217-224.  doi:10.1016/

Bullock RM. 2013. "Abundant Metals Give Precious Hydrogenation Performance." Science 342(6162):1054-1055.  doi:10.1126/science.1247240

Chen X, GE Hammond, CJ Murray, ML Rockhold, VR Vermeul, and JM Zachara. 2013. "Applications of Ensemble-based Data Assimilation Techniques for Aquifer Characterization using Tracer Data at Hanford 300 Area." Water Resources Research 49:1-13.  doi:10.1002/2012WR013285

Das AK, MH Engelhard, F Liu, RM Bullock, and JA Roberts. 2013. "The Electrode as Organolithium Reagent: Catalyst-Free Covalent Attachment of Electrochemically Active Species to an Azide-Terminated Glassy Carbon Electrode Surface." Inorganic Chemistry 52(23):13674-13684.  doi:10.1021/ic402247n

El-Khoury PZ, and WP Hess. 2013. "Raman Scattering from 1,3-Propanedithiol at a Hot Spot: Theory Meets Experiment." Chemical Physics Letters 581:57-63.  doi:10.1016/j.cplett.2013.05.066

El-Khoury PZ, D Hu, and WP Hess. 2013. "Junction Plasmon-Induced Molecular Reorientation." Journal of Physical Chemistry Letters 4(20):3435-3439.  doi:10.1021/jz401838b

El-Khoury PZ, D Hu, VA Apkarian, and WP Hess. 2013. "Raman Scattering at Plasmonic Junctions Shorted by Conductive Molecular Bridges." Nano Letters 13(4):1858-1861.  doi:10.1021/nl400733r

El-Khoury PZ, EJ Bylaska, and WP Hess. 2013. "Time Domain Simulations of Chemical Bonding Effects in Surface-Enhanced Spectroscopy." Journal of Chemical Physics 139(17):Article No. 174303.  doi:10.1063/1.4827455

El-Khoury PZ, SJ Peppernick, D Hu, AG Joly, and WP Hess. 2013. "The Origin of Surface-Enhanced Raman Scattering of 4,4' -Biphenyldicarboxylate on Silver Substrates." Journal of Physical Chemistry C 117(14):7260-7268.  doi:10.1021/jp401026x

Gao F, JH Kwak, J Szanyi, and CHF Peden. 2013. "Current Understanding of Cu-Exchanged Chabazite Molecular Sieves for Use as Commercial Diesel Engine DeNOx Catalysts." Topics in Catalysis 56(15-17):1441-1459.  doi:10.1007/s11244-013-0145-8

Gao F, JH Kwak, JH Lee, DN Tran, CHF Peden, K Howden, Y Cheng, J Lupescu, G Cavattaio, C Lambert, and RW McCabe. 2013. Final Report of a CRADA Between Pacific Northwest National Laboratory and the Ford Motor Company (CRADA No. PNNL/265): “Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials”PNNL-22120, Pacific Northwest National Laboratory, Richland, WA. 

Glezakou VA, and BP McGrail. 2013. "Density functional simulations as a tool to probe molecular interactions in wet supercritical CO2." Chapter 3 in Application of Molecular Modeling to Challenges in Clean Energy. ACS Symposium Series, vol. 1133, ed. G Fitzgerald and N Govind, pp. 31-49.  American Chemical Society, Washington DC. 

He W, S VilayurGanapathy, AG Joly, TC Droubay, SA Chambers, JR Maldonado, and WP Hess. 2013. "Comparison of CsBr and KBr coated Cu photocathodes: Effects of laser irradiation and work function changes." Applied Physics Letters 102(7):Article No. 071604.  doi:10.1063/1.4793214

Henderson MA. 2013. "Comparison of the Photodesorption Activities of cis-Butene, trans-Butene and Isobutene on the Rutile TiO2(110) Surface." Journal of Physical Chemistry C 117(45):23840-23847.  doi:10.1021/jp408426y

Henderson MA. 2013. "Photooxidation and Photodesorption in the Photochemistry of Isobutene on TiO2(110)." Journal of Physical Chemistry C 117(27):14113-14124.  doi:10.1021/jp404625c

Hoffert WA, MT Mock, AM Appel, and JY Yang. 2013. "Incorporation of Hydrogen Bonding Functionalities into the Second Coordination Sphere of Iron-Based Water Oxidation Catalysts." European Journal of Inorganic Chemistry 2013(22-23):3846-3857.  doi:10.1002/ejic.201201499

Johnson GE, NM Al Hasan, and J Laskin. 2013. "Influence of Heteroanion and Ammonium Cation Size on the Composition and Gas-Phase Fragmentation of Polyoxovanadates." International Journal of Mass Spectrometry 354-355:333-341.  doi:10.1016/j.ijms.2013.06.009

Johnson GE, TA Priest, and J Laskin. 2013. "Synthesis and Characterization of Gold Clusters Ligated with 1,3-Bis(dicyclohexylphosphino)propane." ChemPlusChem 78(9):1033-1039.  doi:10.1002/cplu.201300134

Karkamkar AJ, K Parab, DM Camaioni, D Neiner, HM Cho, TK Nielsen, and T Autrey. 2013. "A Thermodynamic and Kenetic Study of the Heterolytic Activation of Hydrogen by Frustrated Borane-Amine Lewis Pairs." Dalton Transactions 42(3):615-619.  doi:10.1039/c2dt31628e

Laskin J, A Laskin, and S Nizkorodov. 2013. "New Mass Spectrometry Techniques for Studying Physical Chemistry of Atmospheric Heterogeneous Processes." International Reviews in Physical Chemistry 32(1):128-170.  doi:10.1080/0144235X.2012.752904

Li Z, BD Kay, and Z Dohnalek. 2013. "Dehydration and Dehydrogenation of Ethylene Glycol on Rutile TiO2(110)." Physical Chemistry Chemical Physics. PCCP 15(29):12180-12186.  doi:10.1039/c3cp50687h

Lin X, Z Wang, I Lyubinetsky, BD Kay, and Z Dohnalek. 2013. "Interaction of CO2 with Oxygen Adatoms on Rutile TiO2(110)." Physical Chemistry Chemical Physics. PCCP 15(17):6190-6195.  doi:10.1039/C3CP44040K

Lu J, Y Xu, and WJ Shaw. 2013. "Phosphorylation and Ionic Strength Alter the LRAP-HAP Interface in the N-terminus." Biochemistry 52(13):2196-2205.  doi:10.1021/bi400071a

Lu J, Y Xu, GW Buchko, and WJ Shaw. 2013. "Mineral Association Changes the Secondary Structure and Dynamics of Murine Amelogenin." Journal of Dental Research 92(11):1000-1004.  doi:10.1177/0022034513504929

May RA, RS Smith, and BD Kay. 2013. "Mobility of Supercooled liquid Toluene, Ethylbenzene, and Benzene near their Glass Transition Temperatures Investigated using Inert Gas Permeation." Journal of Physical Chemistry A 117(46):11881-11889.  doi:10.1021/jp403093e

May RA, RS Smith, and BD Kay. 2013. "The Release of Trapped Gases from Amorphous Solid Water Films: I. “Top-Down” Crystallization-Induced Crack Propagation Probed using the Molecular Volcano." Journal of Chemical Physics 138(10):Article No. 104501.  doi:10.1063/1.4793311

May RA, RS Smith, and BD Kay. 2013. "The Release of Trapped Gases from Amorphous Solid Water Films: II. “Bottom-Up?? Induced Desorption Pathways." Journal of Chemical Physics 138(10):Article No. 104502.  doi:10.1063/1.4793312

Miliordos E, and SS Xantheas. 2013. "Efficient procedure for the numerical calculation of harmonic vibrational frequencies based on internal coordinates." Journal of Physical Chemistry A 117(32):7019-7029.  doi:10.1021/jp3127576

Miliordos E, E Apra, and SS Xantheas. 2013. "Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n=2-6, and several hexamer local minima at the CCSD(T) level of theory." Journal of Chemical Physics 139(11):114302-13.  doi:10.1063/1.4820448

Miliordos E, K Ruedenberg, and SS Xantheas. 2013. "Unusual Inorganic Biradicals: A Theoretical Analysis." Angewandte Chemie International Edition 52(22):5736-5739.  doi:10.1002/anie.201300654

Peppernick SJ, AG Joly, KM Beck, and WP Hess. 2013. "Plasmon-Induced Optical Field Enhancement studied by Correlated Scanning and Photoemission Electron Microscopy." Journal of Chemical Physics 138(15):Article No. 154701.  doi:10.1063/1.4799937

Peppernick SJ, AG Joly, KM Beck, WP Hess, J Wang, YC Wang, and W Wei. 2013. "Photoemission Electron Microscopy of a Plasmonic Silver Nanoparticle Trimer." Applied Physics A, Materials Science and Processing 112(1):35-39.  doi:10.1007/s00339-012-7316-5

Petrik NG, and GA Kimmel. 2013. "Multiple Non-Thermal Reaction Steps for the Photooxidation CO to CO2 on Reduced TiO2(110)." The Journal of Physical Chemistry Letters 4(3):344-349.  doi:10.1021/jz302012j

Pham TV, and JL Fulton. 2013. "Ion-pairing in aqueous CaCl2 and RbBr solutions: simultaneous structural refinement of XAFS and XRD data." Journal of Chemical Physics 138(4):Article No. 044201.  doi:10.1063/1.4775588

Roberts JA, and RM Bullock. 2013. "Direct Determination of Equilibrium Potentials for Hydrogen Oxidation/Production by Open Circuit Potential Measurements in Acetonitrile." Inorganic Chemistry 52(7):3825-3835.  doi:10.1021/ic302461q

Shi Z, JM Zachara, Z Wang, L Shi, and JK Fredrickson. 2013. "Reductive Dissolution of Goethite and Hematite by Reduced Flavins." Geochimica et Cosmochimica Acta 121:139-154.  doi:10.1016/j.gca.2013.05.039

van der Eide EF, GL Hou, S Deng, H Wen, P Yang, RM Bullock, and XB Wang. 2013. "Metal-Centered 17-Electron Radicals CpM(CO)3· (M = Cr, Mo, W): A Combined Negative Ion Photoelectron Spectroscopic and Theoretical Study." Organometallics 32(7):2084-2091.  doi:10.1021/om3011454

van der Eide EF, ML Helm, ED Walter, and RM Bullock. 2013. "Structural and Spectroscopic Characterization of 17- and 18-Electron Piano-Stool Complexes of Chromium. Thermochemical Analyses of Weak Cr-H Bonds." Inorganic Chemistry 52(3):1591-1603.  doi:10.1021/ic302460y

van der Eide EF, P Yang, and RM Bullock. 2013. "Isolation of Two Agostic Isomers of an Organometallic Cation: Different Structures and Colors." Angewandte Chemie International Edition 52(39):10190-10194.  doi:10.1002/anie.201305032

Wang CM, TC Kaspar, V Shutthanandan, AG Joly, L Kovarik, BW Arey, M Gu, A Devaraj, BD Wirth, and RJ Kurtz. 2013. "Structure And Radiation Damage Behavior Of Epitaxial CrxMo1-x Alloy Thin Films On MgO." Journal of Nuclear Materials 437(1-3):55-61.  doi:10.1016/j.jnucmat.2013.01.345

Zhu H, JH Kwak, CHF Peden, and J Szanyi. 2013. "In situ DRIFTS-MS studies on the oxidation of adsorbed NH3 by NOx over a Cu-SSZ-13 zeolite." Catalysis Today 205:16-23.  doi:10.1016/j.cattod.2012.08.043

Abramson EH, D Imre, J Beranek, J Wilson, and A Zelenyuk. 2013. "Experimental Determination of Chemical Diffusion within Secondary Organic Aerosol Particles." Physical Chemistry Chemical Physics. PCCP 15(8):2983-2991.  doi:10.1039/C2CP44013J

Acharya DP, Y Yoon, Z Li, Z Zhang, X Lin, R Mu, L Chen, BD Kay, RJ Rousseau, and Z Dohnalek. 2013. "Site-Specific Imaging of Elemental Steps in Dehydration of Diols on TiO2(110)." ACS Nano 7(11):10414-10423.  doi:10.1021/nn404934q

Akagi S, RJ Yokelson, IR Burling, S Meinardi, I Simpson, DR Blake, G McMeeking, A Sullivan, T Lee, S Kredenweis, S Urbanski, J Reardon, DWT Griffith, TJ Johnson, and D Weise. 2013. "Measurements of reactive trace gases and variable O3 formation rates in some South Carolina biomass burning plumes." Atmospheric Chemistry and Physics 13(3):1141-1165.  doi:10.5194/acp-13-1141-2013

Al Hasan NM, GE Johnson, and J Laskin. 2013. "Gas-Phase Synthesis of Singly and Multiply Charged Polyoxovanadate Anions Employing Electrospray Ionization and Collision Induced Dissociation." Journal of the American Society for Mass Spectrometry 24(9):1385-95.  doi:10.1007/s13361-013-0683-0

Albrecht KO, VA Glezakou, RJ Rousseau, MH Engelhard, T Varga, RJ Colby, JE Jaffe, XS Li, D Mei, CF Windisch, Jr, SM Kathmann, TL Lemmon, MJ Gray, TR Hart, BL Thompson, and MA Gerber. 2013. Rh-Based Mixed Alcohol Synthesis Catalysts: Characterization and Computational ReportPNNL-22697, Pacific Northwest National Laboratory, Richland, WA. 

Appel AM, JE Bercaw, AB Bocarsly, H Dobbek, DL DuBois, M Dupuis, JG Ferry, E Fujita, R Hille, P Kenis, CA Kerfeld, RH Morris, CHF Peden, A Portis, S Ragsdale, TB Rauchfuss, J Reek, LC Seefeldt, RK Thauer, and GL Waldrop. 2013. "Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2." Chemical Reviews 113(8):6621-6658.  doi:10.1021/cr300463y

Baer DR, BJ Finlayson-Pitts, HC Allen, AK Bertram, VH Grassian, ST Martin, JE Penner, K Prather, PJ Rasch, R Signorell, JN Smith, B Wyslouzil, P Ziemann, D Dabdub, F Furche, S Nizkorodov, DJ Tobias, J Laskin, and A Laskin. 2013. EMSL Science Theme Advisory Panel Workshop - Atmospheric Aerosol Chemistry, Climate Change, and Air QualityPNNL-22607, Pacific Northwest National Laboratory, Richland, WA. 

Baer DR, MH Engelhard, GE Johnson, J Laskin, J Lai, KT Mueller, P Munusamy, S Thevuthasan, H Wang, NM Washton, AC Elder, BL Baisch, AS Karakoti, SVNT Kuchibhatla, and DW Moon. 2013. "Surface Characterization of Nanomaterials and Nanoparticles: important needs and challenging opportunities." Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 31(5):Article No. 050820.  doi:10.1116/1.4818423

Baer MD, and CJ Mundy. 2013. "An ab initio approach to understanding the specific ion effect." Faraday Discussions 160(0):89-101.  doi:10.1039/C2FD20113E

Bao X, D Hrovat, W Borden, and XB Wang. 2013. "Negative Ion Photoelectron Spectroscopy Confirms the Prediction that (CO)5 and (CO)6 Each Has a Singlet Ground State." Journal of the American Chemical Society 135(11):4291-4298.  doi:10.1021/ja4005128

Bernacki BE, RL Redding, YF Su, CS Brauer, and TJ Johnson. 2013. "Intensity offset and correction of solid spectral library samples measured behind glass." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XIX,m April 29, 2013, Baltimore, Maryland. Proceedings of the SPIE, vol. 87431, ed. SS Shen and PE Lewis, p. Article No. 87431L.  SPIE, Bellingham, WA.  doi:10.1117/12.2014523

Bogatko SA, EL Cauet, EJ Bylaska, GK Schenter, JL Fulton, and JH Weare. 2013. "The Aqueous Ca2+ System, in Comparison with Zn2+, Fe3+, and Al3+: An Ab Initio Molecular Dynamics Study." Chemistry - A European Journal 19(9):3047-3060.  doi:10.1002/chem.201202821

Brown E, D Hu, N Abu-Lail, and X Zhang. 2013. "Potential of nanocrystalline cellulose-fibrin nanocomposites for artificial vascular graft applications." Biomacromolecules 14(4):1063-1071. 

Buchko GW, A Jain, ML Reback, and WJ Shaw. 2013. "Structural characterization of the model amphipathic peptide Ac-LKKLLKLLKKLLKL-NH2 in aqueous solution and with 2,2,2-trifluoroethanol and 1,1,1,3,3,3-hexafluoroisopropanol." Canadian Journal of Chemistry 91(6):406-413.  doi:10.1139/cjc-2012-0429

Bzdek BR, JW Depalma, DP Ridge, J Laskin, and MV Johnston. 2013. "Fragmentation Energetics of Clusters Relevant to Atmospheric New Particle Formation." Journal of the American Chemical Society 135(8):3276-3285.  doi:10.1021/ja3124509

Cantelli R, A Paolone, O Palumbo, F Leardini, T Autrey, AJ Karkamkar, and AT Luedtke. 2013. "Rotational dynamics in ammonia borane: Evidence of strong isotope effects." Journal of Alloys and Compounds 580(Supplement 1):S63-S66.  doi:10.1016/j.jallcom.2013.03.148

Chase Z, JL Fulton, DM Camaioni, D Mei, M Balasubramanian, VT Pham, C Zhao, RS Weber, Y Wang, and JA Lercher. 2013. "State of Supported Pd during Catalysis in Water." Journal of Physical Chemistry C 117(34):17603-17612.  doi:10.1021/jp404772p

Clikeman TT, S Deng, S Avdoshenko, XB Wang, AA Popov, SH Strauss, and OV Boltalina. 2013. "Fullerene "Superhalogen" Radicals: The Substituent Effect on Electronic Properties of 1,7,11,24,27-C60X5." Chemistry - A European Journal 19(45):15404-15409.  doi:10.1002/chem.201301234

Craig NC, Y Chen, Y Lu, CF Neese, DJ Nemchick, and TA Blake. 2013. "Analysis of the rotational structure in the high-resolution infrared spectra of cis,cis- and trans,trans-1,4-difluorobutadiene-1-d1 and trans,trans-1,4-difluorobutadiene-1,4-d2." Journal of Molecular Spectroscopy 288:18-27.  doi:10.1016/j.jms.2013.03.006

Dang LX, and HV Annapureddy. 2013. "Computational Studies of Water Exchange around Aqueous Li+ with Polarizable Potential Models." Journal of Chemical Physics 139(8):084506.  doi:10.1063/1.4819135

Dang LX, X Sun, B Ginovska-Pangovska, HV Annapureddy, and TB Truong. 2013. "Understanding ion-ion interactions in bulk and aqueous interfaces using molecular simulations." Faraday Discussions 160(0):151-160.  doi:10.1039/c2fd20093g

Devanathan R, NB Idupulapati, MD Baer, CJ Mundy, and M Dupuis. 2013. "Ab initio molecular dynamics simulation of proton hopping in a model polymer membrane." Journal of Physical Chemistry B 117(51):16522-16529.  doi:10.1021/jp410229u

Devaraj A, RJ Colby, WP Hess, DE Perea, and S Thevuthasan. 2013. "Role of Photoexcitation and Field Ionization in the Measurement of Accurate Oxide Stoichiometry by Laser-Assisted Atom Probe Tomography." The Journal of Physical Chemistry Letters 4(6):993-998.  doi:10.1021/jz400015h

Ding F, W Xu, X Chen, J Zhang, MH Engelhard, Y Zhang, BR Johnson, JV Crum, TA Blake, X Liu, and J Zhang. 2013. "Effects of Carbonate Solvents and Lithium Salts on Morphology and Coulombic Efficiency of Lithium Electrode." Journal of the Electrochemical Society 160(10):A1894-A1901.  doi:10.1149/2.100310jes

Doi K, E Togano, SS Xantheas, R Nakanishi, T Nagata, T Ebata, and Y Inokuchi. 2013. "Microhydration Effects on the Intermediates of the SN2 Reacation of Iodide Anion with Methyl Iodine." Angewandte Chemie International Edition 52(16):4380-4383.  doi:10.1002/anie.201207697

Dutta A, S Lense, J Hou, MH Engelhard, JA Roberts, and WJ Shaw. 2013. "Minimal Proton Channel Enables H2 Oxidation and Production with a Water-Soluble Nickel-Based Catalyst." Journal of the American Chemical Society 135(49):18490-18496.  doi:10.1021/ja407826d

Franz JA, MJ O'Hagan, MH Ho, TL Liu, ML Helm, S Lense, DL DuBois, WJ Shaw, AM Appel, S Raugei, and RM Bullock. 2013. "Conformational Dynamics and Proton Relay Positioning in Nickel Catalysts for Hydrogen Production and Oxidation." Organometallics 32(23):7034-7042.  doi:10.1021/om400695w

Friedman B, A Zelenyuk, J Beranek, GR Kulkarni, MS Pekour, AG Hallar, I McCubbin, JA Thornton, and DJ Cziczo. 2013. "Aerosol measurements at a high-elevation site: composition, size, and cloud condensation nuclei activity." Atmospheric Chemistry and Physics 13(23):11839-11851.  doi:10.5194/acp-13-11839-2013

Galan BR, ML Reback, A Jain, AM Appel, and WJ Shaw. 2013. "Electrocatalytic Oxidation of Formate with Nickel Diphosphane Dipeptide Complexes: Effect of Ligands Modified with Amino Acids." European Journal of Inorganic Chemistry 2013(30):5366-5371.  doi:10.1002/ejic.201300751

Gao F, ED Walter, EM Karp, JY Luo, RG Tonkyn, JH Kwak, J Szanyi, and CHF Peden. 2013. "Structure-Activity Relationships in NH3-SCR over Cu-SSZ-13 as Probed by Reaction Kinetics and EPR Studies." Journal of Catalysis 300(1):20-29.  doi:10.1016/j.jcat.2012.12.020

Gao F, ED Walter, NM Washton, J Szanyi, and CHF Peden. 2013. "Synthesis and Evaluation of Cu-SAPO-34 Catalysts for Ammonia Selective Catalytic Reduction. 1. Aqueous Solution Ion Exchange." ACS Catalysis 3(9):2083-2093.  doi:10.1021/cs4004672

Gu M, LR Parent, BL Mehdi, RR Unocic, MT Mcdowell, RL Sacci, W Xu, JG Connell, P Xu, P Abellan Baeza, X Chen, Y Zhang, DE Perea, JE Evans, L Lauhon, J Zhang, J Liu, ND Browning, Y Cui, I Arslan, and CM Wang. 2013. "Demonstration of an Electrochemical Liquid Cell for Operando Transmission Electron Microscopy Observation of the Lithiation/Delithiation Behavior of Si Nanowire Battery Anodes." Nano Letters 13(12):6106-6112.  doi:10.1021/nl403402q

Halliday MT, AG Joly, WP Hess, P Sushko, and AL Shluger. 2013. "Mechanisms of Photodesorption of Br Atoms from CsBr Surfaces." Journal of Physical Chemistry C 117(26):13502-13509.  doi:10.1021/jp4036343

Heiden ZM, S Chen, MT Mock, WG Dougherty, WS Kassel, RJ Rousseau, and RM Bullock. 2013. "Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendant Amine ." Inorganic Chemistry 52(7):4026-4039.  doi:10.1021/ic4000704

Henderson MA, M Shen, Z Wang, and I Lyubinetsky. 2013. "Characterization of the Active Surface Species Responsible for UV-Induced Desorption of O2 from the Rutile TiO2(110) Surface." Journal of Physical Chemistry C 117(11):5774-5784.  doi:10.1021/jp312161y

Henderson MA, and I Lyubinetsky. 2013. "Molecular-Level Insights into Photocatalysis from Scanning Probe Microscopy Studies on TiO2(110)." Chemical Reviews 113(6):4428-4455.  doi:10.1021/cr300315m

Herman GS, RT Zehr, and MA Henderson. 2013. "Characterization of oxygen and titanium diffusion at the anatase TiO2(001) surface." Surface Science 612:L5-L8.  doi:10.1016/j.susc.2013.02.006

Ho MH, S Chen, RJ Rousseau, M Dupuis, RM Bullock, and S Raugei. 2013. "Bio-Inspired Molecular Catalysts for Hydrogen Oxidation and Hydrogen Production." Chapter 6 in Application of Molecular Modeling to Challenges in Clean Energy. ACS Symposium Series, vol. 1133, ed. G Fitzgerald and N Govind, pp. 89-111.  American Chemical Society, Washington, DC. 

Ho MH, S Raugei, RJ Rousseau, M Dupuis, and RM Bullock. 2013. "Evaluation of the Role of Water in the H2 Bond Formation by Ni(II)-based Electrocatalysts ." Journal of Chemical Theory and Computation 9(8):3505-3514.  doi:10.1021/ct400396s

Hoffert WA, JA Roberts, RM Bullock, and ML Helm. 2013. "Production of H2 at Fast Rates Using a Nickel Electrocatalyst in Water/Acetonitrile Solutions." Chemical Communications 49(71):7767-7769.  doi:10.1039/c3cc43203c

Horvath S, L Fernandez, AM Appel, and S Hammes-Schiffer. 2013. "pH-Dependent Reduction Potentials and Proton-Coupled Electron Transfer Mechanisms in Hydrogen-Producing Nickel Molecular Electrocatalysts." Inorganic Chemistry 52(7):3643-3652.  doi:10.1021/ic302056j

Hosseini SE, S Urbanski, P Dixit, L Qi, IR Burling, R Yokelson, TJ Johnson, MKB Shrivastava, H Jung, D Weise, JW Miller, and DR Cocker. 2013. "Laboratory characterization of PM emissions from combustion of wildland biomass fuels." Journal of Geophysical Research. D. (Atmospheres) 118(17):9914-9929.  doi:10.1002/jgrd.50481

Hossu M, RO Schaeffer, L Ma, W Chen, Y Zhu, R Sammynaiken, and AG Joly. 2013. "On the Luminescence Enhancement of Mn2+ By Co-doping of Eu2+ in ZnS:Mn,Eu." Optical Materials 35(8):1513-1519.  doi:10.1016/j.optmat.2013.03.014

Hou GL, MM Wu, H Wen, QN Sun, XB Wang, and W Zheng. 2013. "Photoelectron Spectroscopy and Theoretical Study of M(IO3)2- (M = H, Li, Na, K): Structural Evolution, Optical Isomers and Hyperhalogen Behavior." Journal of Chemical Physics 139(4):Article No. 044312.  doi:10.1063/1.4816525

Hou GL, W Lin, S Deng, J Zhang, W Zheng, F Paesani, and XB Wang. 2013. "Negative Ion Photoelectron Spectroscopy Reveals Thermodynamic Advantage of Organic Acids in Facilitating Formation of Bisulfate Ion Clusters: Atmospheric Implications." Journal of Physical Chemistry Letters 4(5):779-785.  doi:10.1021/jz400108y

Hulley EB, KD Welch, AM Appel, DL DuBois, and RM Bullock. 2013. "Rapid, Reversible Heterolytic Cleavage of Bound H2." Journal of the American Chemical Society 135(32):11736-11739.  doi:10.1021/ja405755j

Imoto S, SS Xantheas, and S Saito. 2013. "Molecular origin of the difference in the HOH bend of the IR spectra between liquid water and ice." Journal of Chemical Physics 138(5):054506-1/8.  doi:10.1063/1.4789951

Imoto S, SS Xantheas, and S Saito. 2013. "Ultrafast dynamics of liquid water: Frequency fluctuations of the OH stretch and the HOH bend." Journal of Chemical Physics 139(4):Article No. 044503.  doi:10.1063/1.4813071

Iwata S, P Bandyopadhyay, and SS Xantheas. 2013. "Cooperative Roles of Charge Transfer and Dispersion Terms in Hydrogen-Bonded Networks of (H2O)n, n = 6, 11, and 16." Journal of Physical Chemistry A 117(30):6641-6651.  doi:10.1021/jp403837z

Jeletic MS, MT Mock, AM Appel, and JC Linehan. 2013. "A Cobalt-based Catalyst for CO2 Hydrogenation Under Ambient Conditions." Journal of the American Chemical Society 135(31):11533-11536.  doi:10.1021/ja406601v

Johnson TJ, RL Sams, LT Profeta, S Akagi, IR Burling, RJ Yokelson, and SD Williams. 2013. "Quantitative IR Spectrum and Vibrational Assignments for Glycolaldehyde Vapor: Glycolaldehyde Measurements in Biomass Burning Plumes." Journal of Physical Chemistry A 117(20):4096-4107.  doi:/10.1021/jp311945p

Johnson TJ, D Weise, EN Lincoln, RL Sams, M Cameron, P Veres, RJ Yokelson, S Urbanski, LT Profeta, S Williams, J Gilman, WC Kuster, S Akagi, CE Stockwell, A Mendoza, CE Wold, C Warneke, JA de Gouw, IR Burling, J Reardon, MD Schneider, DWT Griffith, and JM Roberts. 2013. Final Report for SERDP Project RC-1649: Advanced Chemical Measurements of Smoke from DoD-prescribed BurnsPNNL-23025, Pacific Northwest National Laboratory, Richland, WA. 

Kim DH, KK Mudiyanselage, J Szanyi, JH Kwak, H Zhu, and CHF Peden. 2013. "Effect of K loadings on nitrate formation/decomposition and on NOx storage performance of K-based NOx storage-reduction catalysts." Applied Catalysis. B, Environmental 142-143:472-478.  doi:10.1016/j.apcatb.2013.05.063

Kleese van Dam K, JP Carson, AL Corrigan, DR Einstein, ZC Guillen, BS Heath, AP Kuprat, IT Lanekoff, CS Lansing, J Laskin, D Li, Y Liu, MJ Marshall, EA Miller, G Orr, P Pinheiro da Silva, S Ryu, CJ Szymanski, and M Thomas. 2013. "Velo and REXAN - Integrated Data Management and High Speed Analysis for Experimental Facilities." In Proceedings of the IEEE 8th International Conference on EScience, October 8-12, 2012, Chicago, Illinois.  IEEE Press, Los Alamitos, CA.  doi: 10.1109/eScience.2012.6404463

Kovarik L, A Genc, CM Wang, A Qiu, CHF Peden, J Szanyi, and JH Kwak. 2013. "Tomography and High-Resolution Electron Microscopy Study of Surfaces and Porosity in a Plate-Like ?-Al2O3." Journal of Physical Chemistry C 117(1):179-186.  doi:10.1021/jp306800h

Kuvychko IV, C Dubceac, S Deng, XB Wang, AA Granovsky, AA Popov, MA Petrukhina, SH Strauss, and OV Boltalina. 2013. "C20H4(C4F8)3: A Fluorine-Containing Annulated Corannulene that Is a Better Electron Acceptor Than C60." Angewandte Chemie International Edition 52(29):7505-7508.  doi:10.1002/anie.201300796

Kuvychko IV, KP Castro, S Deng, XB Wang, SH Strauss, and OV Boltalina. 2013. "Taming hot CF3 radicals: incrementally tuned families of polyarene acceptors for air-stable molecular optoelectronics." Angewandte Chemie International Edition 52(18):4871-4874.  doi:10.1002/anie.201300085

Kwak JH, JH Lee, SD Burton, AS Lipton, CHF Peden, and J Szanyi. 2013. "A common intermediate for N2 formation in enzymes and zeolites: side-on Cu-nitrosyl complexes." Angewandte Chemie International Edition 52(38):9985-9989.  doi:10.1002/anie.201303498

Kwak JH, L Kovarik, and J Szanyi. 2013. "CO2 Reduction on Supported Ru/Al2O3 Catalysts: Cluster Size Dependence of Product Selectivity." ACS Catalysis 3(11):2449-2455.  doi:10.1021/cs400381f

Kwak JH, L Kovarik, and J Szanyi. 2013. "Heterogeneous Catalysis on Atomically Dispersed Supported Metals: CO2 Reduction on Multifunctional Pd Catalysts." ACS Catalysis 3(9):2094-2100.  doi:10.1021/cs4001392

Lanekoff IT, KE Burnum-Johnson, M Thomas, JTL Short, JP Carson, J Cha, SK Dey, P Yang, MC Prieto Conaway, and J Laskin. 2013. "High-Speed Tandem Mass Spectrometric in Situ Imaging by Nanospray Desorption Electrospray Ionization Mass Spectrometry." Analytical Chemistry 85(20):9596-9603.  doi:10.1021/ac401760s

Lanekoff IT, M Thomas, JP Carson, JN Smith, C Timchalk, and J Laskin. 2013. "Imaging Nicotine in Rat Brain Tissue by Use of Nanospray Desorption Electrospray Ionization Mass Spectrometry." Analytical Chemistry 85(2):882-889.  doi:10.1021/ac302308p

Lanekoff IT, OV Geydebrekht, GE Pinchuk, A Konopka, and J Laskin. 2013. "Spatially-Resolved Analysis of Glycolipids and Metabolites in Living Synechococcus sp. PCC7002 Using Nanospray Desorption Electrospray Ionization." Analyst 138(7):1971-1978.  doi:10.1039/C3AN36716A

Larson BW, JB Whitaker, XB Wang, AA Popov, G Rumbles, N Kopidakis, SH Strauss, and OV Boltalina. 2013. "Electron Affinity of Phenyl-C61-Butyric Acid Methyl Ester (PCBM)." Journal of Physical Chemistry C 117(29):14958-14964.  doi:10.1021/jp403312g

Lee HJ, A Laskin, J Laskin, and SA Nizkorodov. 2013. " Excitation-emission spectra and fluorescence quantum yields for fresh and aged biogenic secondary organic aerosols." Environmental Science & Technology 47(11):5763-5770.  doi:10.1021/es400644c

Lemonidou AA, EC Vagia, and JA Lercher. 2013. "Acetic Acid Reforming over Rh Supported on La2O3/CeO2-ZrO2: Catalytic Performance and Reaction Pathway Analysis." ACS Catalysis 3(9):1919-1928.  doi:10.1021/cs4003063

Li WZ, L Kovarik, D Mei, J Liu, Y Wang, and CHF Peden. 2013. "Stable platinum nanoparticles on specific MgAl2O4 spinel facets at high temperatures in oxidizing atmospheres." Nature Communications 4:Article No. 2481.  doi:10.1038/ncomms3481

Li Y, Z Wei, J Sun, F Gao, CHF Peden, and Y Wang. 2013. "Effect of Sodium on the Catalytic Properties of VOx/CeO2 Catalysts for Oxidative Dehydrogenation of Methanol." Journal of Physical Chemistry C 117(11):5722-5729.  doi:10.1021/jp310512m

Lin J, W He, S Vilayur Ganapathy, SJ Peppernick, B Wang, S Palepu, M Remec, WP Hess, AB Hmelo, ST Pantelides, and J Dickerson. 2013. "Growth of solid and hollow gold particles through the thermal annealing of nanoscale patterned thin films." ACS Applied Materials & Interfaces 5(22):11590-11596.  doi:10.1021/am402633u

Liu C, J Shang, SN Kerisit, JM Zachara, and W Zhu. 2013. "Scale-Dependent Rates of Uranyl Surface Complexation Reaction in Sediments." Geochimica et Cosmochimica Acta 105:326-341.  doi:10.1016/j.gca.2012.12.003

Liu TL, DL DuBois, and RM Bullock. 2013. "An iron complex with pendant amines as a molecular electrocatalyst for oxidation of hydrogen." Nature Chemistry 5(3):228-233.  doi:10.1038/NCHEM.1571

Luo W, D Neiner, AJ Karkamkar, K Parab, EB Garner, DA Dixon, DW Matson, T Autrey, and SY Liu. 2013. "3-Methyl-1,2-BN-Cyclopentane: A Promising H2 Storage Material?" Dalton Transactions 42(3):611-614.  doi:10.1039/c2dt31617j

Mardirossian N, DS Lambrecht, L McCaslin, SS Xantheas, and MP Head-Gordon. 2013. "The Performance of Density Functionals for Sulfate-Water Clusters." Journal of Chemical Theory and Computation 9(3):1368-1380.  doi:10.1021/ct4000235

McGrail BP, PK Thallapally, J Blanchard, SK Nune, JWJ Jenks, and LX Dang. 2013. "Metal-Organic Heat Carrier Nanofluids." Nano Energy 2(5):845-855.  doi:10.1016/j.nanoen.2013.02.007

McGrath M, IFW Kuo, BF Ngouana, JN Ghogomu, CJ Mundy, A Marenich, CJ Cramer, DG Truhlar, and JI Siepmann. 2013. "Calculation of the Gibbs Free Energy of Solvation and Dissociation of HCl in Water via Monte Carlo Simulations and Continuum Solvation Models." Physical Chemistry Chemical Physics. PCCP 15(32):13578-13585.  doi:10.1039/c3cp51762d

Mei D, VMC Lebarbier, RJ Rousseau, VA Glezakou, KO Albrecht, L Kovarik, MD Flake, and RA Dagle. 2013. "Comparative Investigation of Benzene Steam Reforming over Spinel Supported Rh and Ir Catalysts." ACS Catalysis 3(6):1133-1143.  doi:10.1021/cs4000427

Mock MT, S Chen, MJ O'Hagan, RJ Rousseau, WG Dougherty, WS Kassel, and RM Bullock. 2013. "Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-membered Phosphorus Macrocycle." Journal of the American Chemical Society 135(31):11493-11496.  doi:10.1021/ja405668u

Murray CJ, JM Zachara, JP McKinley, AL Ward, YJ Bott, KE Draper, and DA Moore. 2013. "Establishing a geochemical heterogeneity model for a contaminated vadose zone - Aquifer system." Journal of Contaminant Hydrology Hydrology(153):122-140.  doi:10.1016/j.jconhyd.2012.02.003.

Nepomnyashchii AB, F Liu, JA Roberts, and BA Parkinson. 2013. "Application of Gold Electrodes for the Study of Nickel Based Homogeneous Catalysts for Hydrogen Oxidation." Journal for Electrochemistry and Plating Technology 6:3-7.  doi:10.12850/ISSN2196-0267.JEPT2269

Nguyen TB, A Laskin, J Laskin, and S Nizkorodov. 2013. "Brown carbon formation from ketoaldehydes of biogenic monoterpenes." Faraday Discussions 165:473-494.  doi:10.1039/c3fd00036b

Nguyen TB, S Nizkorodov, A Laskin, and J Laskin. 2013. "An approach toward quantification of organic compounds in complex environmental samples using high-resolution electrospray ionization mass spectrometry." Analytical Methods 5(1):72-80.  doi:10.1039/c2ay25682g

Nielsen TK, AJ Karkamkar, ME Bowden, F Besenbacher, TR Jensen, and T Autrey. 2013. "Methods to Stabilize and Destabilize Ammonium Borohydride." Dalton Transactions 42(3):680-687.  doi:10.1039/C2DT31591B

O'Brien RE, A Laskin, J Laskin, S Liu, R Weber, L Russell, and AH Goldstein. 2013. "Molecular Characterization of Organic Aerosol Using Nanospray Desorption/Electrospray Ionization Mass Spectrometry: CalNex 2010 field study." Atmospheric Environment 68:265-272.  doi:10.1016/j.atmosenv.2012.11.056

O'Brien RE, TB Nguyen, A Laskin, J Laskin, PL Hayes, S Liu, JL Jimenez, LM Russell, S Nizkorodov, and AH Goldstein. 2013. "Probing Molecular Associations of Field-Collected and Laboratory-Generated SOA with Nano-DESI High-Resolution Mass Spectrometry." Journal of Geophysical Research. D. (Atmospheres) 118(2):1042-1051. 

Paolone A, F Teocoli, S Sanna, O Palumbo, and T Autrey. 2013. "Temperature Dependence of the Infrared Spectrum of Ammonia Borane: Librations, Rotations, and Molecular Vibrations." Journal of Physical Chemistry C 117(2):729-734.  doi:10.1021/jp3062898

Phillips MC, IM Craig, and TA Blake. 2013. "Reflection-Absorption Infrared Spectroscopy of Thin Films Using an External Cavity Quantum Cascade Laser." In Quantum Sensing and Nanophotonic Devices X, February 2, 2013, San Francisco, California. Proceedings of the SPIE, vol. 8631, ed. M Razeghi, p. Paper No. 86310C.  SPIE, Bellingham, WA.  doi:10.1117/12.2002849

Polyakov A, C Senft, KF Thompson, J Feng, S Cabrini, PJ Schuck, H Padmore, SJ Peppernick, and WP Hess. 2013. "Plasmon-enhanced photocathode for high brightness and high repetition rate x-ray sources." Physical Review Letters 110(7):Article No. 076802.  doi:10.1103/PhysRevLett.110.076802

Pretzer LA, HJ Song, YL Fang, Z Zhao, N Guo, T Wu, I Arslan, JT Miller, and MS Wong. 2013. "Hydrodechlorination Catalysis of Pd-on-Au Nanoparticles Varies with Particle Size." Journal of Catalysis 298:206-217.  doi:10.1016/j.jcat.2012.11.005

Reback ML, B Ginovska-Pangovska, MH Ho, A Jain, TC Squier, S Raugei, JA Roberts, and WJ Shaw. 2013. "The Role of a Dipeptide Outer-Coordination Sphere on H2 -Production Catalysts: Influence on Catalytic Rates and Electron Transfer." Chemistry - A European Journal 19(6):1928-1941.  doi:10.1002/chem.201202849

Roehling JD, KJ Batenburg, FB Swain, AJ Moule, and I Arslan. 2013. "Three-dimensional concentration mapping of organic blends." Advanced Functional Materials 23(17):2115-2122.  doi:10.1002/adfm.201202190

Sacci RL, NJ Dudney, KL More, LR Parent, I Arslan, ND Browning, and RR Unocic. 2013. "Direct Visualization of Initial SEI Morphology and Growth Kinetics During Lithium Deposition by in situ Electrochemical Transmission Electron Microscopy." Chemical Communications 50(17):2104-2107.  doi:10.1039/c3cc49029g

Sego LH, A Marquez, A Rawson, T Cader, KM Fox, WI Gustafson, Jr, and CJ Mundy. 2013. "Implementing the Data Center Energy Productivity Metric in a High Performance Computing Data Center." Chapter 4 in Design Technologies for Green and Sustainable Computing Systems, ed. PP Pande, A Ganguly and K Chakrabarty, pp. 93-116.  Springer, New York, NY. 

Sellner B, M Valiev, and SM Kathmann. 2013. "Charge and Electric Field Fluctuations in Aqueous NaCl Electrolytes ." Journal of Physical Chemistry B 117(37):10869-10882.  doi:10.1021/jp405578w

Shaw WJ, ML Helm, and DL DuBois. 2013. "A Modular, Energy-Based Approach to the Development of Nickel Containing Molecular Electrocatalysts for Hydrogen Production and Oxidation." Biochimica et Biophysica Acta--Bioenergetics 1827(8-9):1123-1139.  doi:10.1016/j.bbabio.2013.01.003

Shi H, OY Gutierrez, GL Haller, D Mei, RJ Rousseau, and JA Lercher. 2013. "Structure sensitivity of hydrogenolytic cleavage of endocyclic and exocyclic C-C bonds in methylcyclohexane over supported iridium particles." Journal of Catalysis 297:70-78.  doi:10.1016/j.jcat.2012.09.018

Shi H, OY Gutierrez, H Yang, ND Browning, GL Haller, and JA Lercher. 2013. "Catalytic Consequences of Particle Size and Chloride Promotion in the Ring-Opening of Cyclopentane on Pt/Al2O3." ACS Catalysis 3(3):328-338.  doi:10.1021/cs300636j

Shokri A, XB Wang, and SR Kass. 2013. "Electron-Withdrawing Trifluoromethyl Groups in Combination with Hydrogen Bonds in Polyols: Brønsted Acids, Hydrogen-Bond Catalysts, and Anion Receptors." Journal of the American Chemical Society 135(25):9525-9530.  doi:10.1021/ja4036384

Shokri A, Y Wang, GA O'Doherty, XB Wang, and SR Kass. 2013. "Hydrogen-Bond Networks: Strengths of Different Types of Hydrogen Bonds and An Alternative to the Low Barrier Hydrogen-Bond Proposal." Journal of the American Chemical Society 135(47):17919-17924.  doi:10.1021/ja408762r

Shrivastava MKB, A Zelenyuk, D Imre, RC Easter, Jr, J Beranek, RA Zaveri, and JD Fast. 2013. "Implications of Low Volatility SOA and Gas-Phase Fragmentation Reactions on SOA Loadings and their Spatial and Temporal Evolution in the Atmosphere." Journal of Geophysical Research. D. (Atmospheres) 118(8):3328-3342.  doi:10.1002/jgrd.50160

Song T, CY Ma, IK Chu, CK Siu, and J Laskin. 2013. "Mechanistic Examination of Cß-C? Bond Cleavages of Tryptophan Residues during Dissociations of Molecular Peptide Radical Cations." Journal of Physical Chemistry A 117(6):1059-1068.  doi:10.1021/jp303562e

Song W, C Zhao, and JA Lercher. 2013. "Importance of Size and Distribution of Ni Nanoparticles for the Hydrodeoxygenation of Microalgae Oil." Chemistry - A European Journal 19(30):9833-9842.  doi:10.1002/chem.201301005

Stern AC, MD Baer, CJ Mundy, and DJ Tobias. 2013. "Thermodynamics of Iodide Adsorption at the Instantaneous Air-Water Interface." Journal of Chemical Physics 138(11):114709.  doi:10.1063/1.4794688

Stewart ML, A Zelenyuk, and K Howden. 2013. "Fuel-Neutral Studies of PM Transportation Emissions." Chapter III.13 in FY 2013 Progress Report for Advanced Combustion Engine Research and Development: Energy Efficiency and Renewable Energy Vehicle Technologies Office, vol. DOE/EE-0872, ed. G Singh, pp. III 71-III 76.  Department of Energy, Washington DC. 

Stewart MP, II, MH Ho, S Wiese, ML Lindstrom, CE Thogerson, S Raugei, RM Bullock, and ML Helm. 2013. "High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Diphosphine Ligands Containing One Pendent Amine." Journal of the American Chemical Society 135(16):6033-6046.  doi:10.1021/ja400181a

Stoliker DL, C Liu, DB Kent, and JM Zachara. 2013. "Characterizing particle-scale equilibrium adsorption and kinetics of uranium(VI) desorption from U-contaminated sediments." Water Resources Research 49(2):1163-1177.  doi:10.1002/wrcr.20104

Sweet LE, TA Blake, CH Henager, Jr, SY Hu, TJ Johnson, DE Meier, SM Peper, and JM Schwantes. 2013. "Investigation of the Polymorphs and Hydrolysis of Uranium Trioxide." Journal of Radioanalytical and Nuclear Chemistry 296(1):105-110.  doi:10.1007/s10967-012-2063-9

Sweet LE, DD Reilly, DG Abrecht, EC Buck, DE Meier, YF Su, CS Brauer, JM Schwantes, RG Tonkyn, JE Szecsody, TA Blake, and TJ Johnson. 2013. "Spectroscopic Studies of the Several Isomers of UO3." In Optics and Photonics for Counterterrorism, Crime Fighting and Defence IX; and Optical Materials and Biomaterials in Security and Defence Systems Technology X, September 23, 2013, Dresden, Germany. Proceedings of the SPIE , vol. 8901, ed. R Zamboni, et al, p. Paper No. 890107.  SPIE, Bellingham, WA.  doi:10.1117/12.2029408

Szanyi J, CWW Yi, KK Mudiyanselage, and JH Kwak. 2013. "Understanding Automotive Exhaust Catalysts Using a Surface Science Approach: Model NOx Storage Materials." Topics in Catalysis 56(15-17):1420-1440.  doi:10.1007/s11244-013-0152-9

Szanyi J, JH Kwak, H Zhu, and CHF Peden. 2013. "Characterization of Cu-SSZ-13 NH3 SCR Catalysts: an in situ FTIR Study." Physical Chemistry Chemical Physics. PCCP 15(7):2368-2380.  doi:10.1039/c2cp43467a

Tarasevich BJ, U Perez-Salas, DL Masica, J Philo, S Krueger, CF Majkrzak, JJ Gray, and WJ Shaw. 2013. "Neutron Reflectometry Studies of the Adsorbed Structure of the Amelogenin, LRAP." Journal of Physical Chemistry B 117(11):3098-3109.  doi:10.1021/jp311936j

Tobias DJ, AC Stern, MD Baer, Y Levin, and CJ Mundy. 2013. "Simulation and Theory of Ions at Atmospherically Relevant Aqueous Liquid-Air Interfaces." Annual Review of Physical Chemistry 64:339-359.  doi:10.1146/annurev-physchem-040412-110049

Vilayur Ganapathy S, A Devaraj, RJ Colby, A Pandey, T Varga, V Shutthanandan, S Manandhar, PZ El-Khoury, AN Kayani, WP Hess, and S Thevuthasan. 2013. "Subsurface Synthesis and Characterization of Ag Nanoparticles Embedded in MgO." Nanotechnology 24(9):Article No. 095707.  doi:10.1088/0957-4484/24/9/095707

Vilayur Ganapathy S, MI Nandasiri, AG Joly, PZ El-Khoury, T Varga, GW Coffey, B Schwenzer, A Pandey, AN Kayani, WP Hess, and S Thevuthasan. 2013. "Silver nanorod arrays for photocathode applications." Applied Physics Letters 103(16):Article No. 161112.  doi:10.1063/1.4825262

Wallin EL, TC Johnson, WJ Greenwood, and JM Zachara. 2013. "Imaging high stage river-water intrusion into a contaminated aquifer along a major river corridor using 2D time-lapse surface electrical resistivity tomography." Water Resources Research 49(3):1693-1708.  doi:10.1002/wrcr.20119

Wang X, JC Hanson, JH Kwak, J Szanyi, and CHF Peden. 2013. "Cation Movements during Dehydration and NO2 Desorption in a Ba-Y,FAU zeolite: an in situ Time-resolved X-ray Diffraction Study." Journal of Physical Chemistry C 117(8):3915-3922.  doi:10.1021/jp308307m

Wang Y, Y Yoon, VA Glezakou, J Li, and RJ Rousseau. 2013. "The Role of Reducible Oxide-Metal Cluster Charge Transfer in Catalytic Processes: New Insights on The Catalytic Mechanism of CO Oxidation on Au/TiO2 from Ab Initio Molecular Dynamics." Journal of the American Chemical Society 135(29):10673-10683.  doi:10.1021/ja402063v

Wang Z, AR Felmy, CJ Thompson, JS Loring, AG Joly, KM Rosso, HT Schaef, and DA Dixon. 2013. "Near-Infrared Spectroscopic Investigation of Water in Supercritical CO2 and the Effect of CaCl2." Fluid Phase Equilibria 338:155-163.  doi:10.1016/j.fluid.2012.11.012

Watrous JD, PJ Roach, BS Heath, T Alexandrov, J Laskin, and PC Dorrestein. 2013. "Metabolic Profiling Directly from the Petri Dish Using Nanospray Desorption Electrospray Ionization Imaging Mass Spectrometry." Analytical Chemistry 85(21):10385-10391.  doi:10.1021/ac4023154

Weatherall J, JB Barber, CS Brauer, TJ Johnson, YF Su, CD Ball, B Smith, R Cox, R Steinke, P McDaniel, and L Wasserzug. 2013. "Adapting Raman Spectra from Laboratory Spectrometers to Portable Detection Libraries." Applied Spectroscopy 67(2):149-157. 

Wen H, GL Hou, SM Kathmann, M Valiev, and XB Wang. 2013. "Communication: Solute Anisotropy Effects in Hydrated Anion and Neutral Clusters." Journal of Chemical Physics 138(3):Article No. 031101.  doi:10.1063/1.4776766

White GF, Z Shi, L Shi, Z Wang, A Dohnalkova, MJ Marshall, JK Fredrickson, JM Zachara, JN Butt, D Richardson, and TA Clarke. 2013. "Rapid electron exchange between surface-exposed bacterial cytochromes and Fe(III) minerals." Proceedings of the National Academy of Sciences of the United States of America 110(16):6346-6351.  doi:10.1073/pnas.1220074110

Wiedner ES, AM Appel, DL DuBois, and RM Bullock. 2013. "Thermochemical and Mechanistic Studies of Electrocatalytic Hydrogen Production by Cobalt Complexes Containing Pendant Amines." Inorganic Chemistry 52(24):14391-14403.  doi:10.1021/ic4025475

Wiedner ES, JA Roberts, WG Dougherty, WS Kassel, DL DuBois, and RM Bullock. 2013. "Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines." Inorganic Chemistry 52(17):9975-9988.  doi:10.1021/ic401232g

Wiese S, UJ Kilgore, MH Ho, S Raugei, DL DuBois, RM Bullock, and ML Helm. 2013. "Hydrogen Production using Nickel Electrocatalysts with Pendant Amines: Ligand Effects on Rates and Overpotentials." ACS Catalysis 3(11):2527-2535.  doi:10.1021/cs400638f

Williams SD, TJ Johnson, SW Sharpe, V Yavelak, RP Oats, and CS Brauer. 2013. "Quantitative Vapor-phase IR Intensities and DFT Computations to Predict Absolute IR Spectra based on Molecular Structure: I. Alkanes." Journal of Quantitative Spectroscopy and Radiative Transfer 129:298-307.  doi:10.1016/j.jqsrt.2013.07.005

Woehl TJ, KL Jungjohann, JE Evans, I Arslan, WD Ristenpart, and ND Browning. 2013. "Experimental procedures to mitigate electron beam induced artifacts during in situ fluid imaging of nanomaterials." Ultramicroscopy 127:53-63.  doi:10.1016/j.ultramic.2012.07.018

Wright CR, J Holmes, JW Nibler, K Hedberg, JD White, L Hedberg, A Weber, and TA Blake. 2013. "High-Resolution Infrared and Electron-Diffraction Studies of Trimethylenecyclopropane ([3]-Radialene)." Journal of Physical Chemistry A 117(19):4035-4043.  doi:10.1021/jp401813t

Yang JY, SE Smith, TL Liu, WG Dougherty, WA Hoffert, WS Kassel, M Rakowski DuBois, DL DuBois, and RM Bullock. 2013. "Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere." Journal of the American Chemical Society 135(26):9700-9712.  doi:10.1021/ja400705a

Yang Y, CA Mims, D Mei, CHF Peden, and CT Campbell. 2013. "Mechanistic Studies of Methanol Synthesis over Cu from CO/CO2/H2/H2O Mixtures: the Source of C in Methanol and the Role of Water." Journal of Catalysis 298:10-17.  doi:10.1016/j.jcat.2012.10.028

Yokelson RJ, IR Burling, J Gilman, C Warneke, CE Stockwell, JA de Gouw, S Akagi, S Urbanski, P Veres, JM Roberts, WC Kuster, J Reardon, DWT Griffith, TJ Johnson, SE Hosseini, JW Miller, DR Cocker, H Jung, and D Weise. 2013. "Coupling field and laboratory measurements to estimate the emission factors of identified and unidentified trace gases for prescribed fires." Atmospheric Chemistry and Physics 13(1):89-116.  doi:10.5194/acp-13-89-2013

Yu Y, OY Gutierrez, GL Haller, RJ Colby, BC Kabius, JA Rob van Veen, A Jentys, and JA Lercher. 2013. "Tailoring Silica-alumina Supported Pt-Pd As Poison Tolerant Catalyst For Aromatics Hydrogenation ." Journal of Catalysis 304:135-148.  doi:10.1016/j.jcat.2013.04.009

Zachara JM, ES Ilton, and C Liu. 2013. "Reactive Transport of the Uranyl Ion in Soils, Sediments, and Groundwater Systems." Chapter 8 in Uranium - Cradle to Grave. Short Course Series, vol. 43, ed. PC Burns and GE Sigmon, pp. 255-299.  Mineralogical Association of Canada, Quebec, PQ, Canada. 

Zachara JM, PE Long, J Bargar, JA Davis, PM Fox, JK Fredrickson, MD Freshley, A Konopka, C Liu, JP McKinley, ML Rockhold, KH Williams, and SB Yabusaki. 2013. "Persistence of uranium groundwater plumes: Contrasting mechanisms at two DOE sites in the groundwater-river interaction zone." Journal of Contaminant Hydrology 147:45-72.  doi:10.1016/j.jconhyd.2013.02.001

Zammit M, CL DiMaggio, CH Kim, C Lambert, GG Muntean, CHF Peden, JE Parks, and K Howden. 2013. Future Automotive Aftertreatment Solutions: The 150°C Challenge Workshop Report PNNL-22815, Pacific Northwest National Laboratory, Richland, WA. 

Zhang J, D Hrovat, Z Sun, X Bao, W Borden, and XB Wang. 2013. "The Ground State of (CS)4 Is Different from that of (CO)4: An Experimental Test of a Computational Prediction by Negative Ion Photoelectron Spectroscopy." Journal of Physical Chemistry A 117(33):7841-7846.  doi:10.1021/jp406160d

Zhang Z, X Tong, KT McDonnell, A Zelenyuk, D Imre, and K Mueller. 2013. "An Interactive Visual Analytics Framework for Multi-Field Data in a Geo-Spatial Context." Tsinghua Science and Technology 18(2):111-124. 

Zhao C, T Bruck, and JA Lercher. 2013. "Catalytic deoxygenation of microalgae oil to green hydrocarbons." Green Chemistry 15(7):1720-1739.  doi:10.1039/C3GC40558C


Annapureddy HV, and LX Dang. 2012. "Molecular Mechanism of Specific Ion Interactions Between Alkali Cations and Acetate Anion in Aqueous Solution: A Molecular Dynamics Study." Journal of Physical Chemistry B 116(25):7492-7498.  doi:10.1021/jp301859z

Annapureddy HV, and LX Dang. 2012. "Molecular Mechanism of the Adsorption Process of an Iodide Anion into Liquid-Vapor Interfaces of Water-Methanol Mixtures." Journal of Chemical Physics 137(21):Article No. 214705.  doi:10.1063/1.4769293

Arslan I, and EA Stach. 2012. "Electron Tomography: Seeing Atoms in Three Dimensions." Nature Materials 11(11):911-912.  doi:10.1038/nmat3472

Chen X, H Murakami, MS Hahn, GE Hammond, ML Rockhold, JM Zachara, and Y Rubin. 2012. "Three-Dimensional Bayesian Geostatistical Aquifer Characterization at the Hanford 300 Area using Tracer Test Data." Water Resources Research 48:Article No. W06501.  doi:10.1029/2011WR010675

Cort JR, PJ Alperin, and HM Cho. 2012. "Measurement and analysis of diastereomer ratios for forensic characterization of brodifacoum." Forensic Science International 214(1-3):178-181.  doi:10.1016/j.forsciint.2011.08.003

Dang LX, and TM Chang. 2012. "Molecular mechanism of gas adsorption into ionic liquids: A molecular dynamics study." The Journal of Physical Chemistry Letters 3(2):175-181.  doi:10.1021/jz2011786

Devanathan R, and M Dupuis. 2012. "Insight from molecular modelling: does the polymer side chain length matter for transport properties of perfluorosulfonic acid membranes?" Physical Chemistry Chemical Physics. PCCP 14(32):11281-11295.  doi:10.1039/C2CP24132C

Fulton JL, M Balasubramanian, VT Pham, and GS Deverman. 2012. "A Variable, Ultra-Short Pathlength Solution Cell for XAFS Transmission Spectroscopy of the Light Elements." Journal of Synchrotron Radiation 19(6):949-953.  doi:10.1107/S090904951203806X

Gao F, and DW Goodman. 2012. "Model Catalysts: Simulating the Complexities of Heterogeneous Catalysts." Annual Review of Physical Chemistry 63:265-286.  doi:10.1146/annurev-physchem-032511-143722

Gao F, and WD Goodman. 2012. "CO oxidation over ruthenium: identification of the catalytically active phases at near-atmospheric pressures." Physical Chemistry Chemical Physics. PCCP 14(19):6688 - 6697.  doi:10.1039/C2CP40121E

Gao F, and WD Goodman. 2012. "Pd-Au bimetallic catalysts: understanding alloy effects from planar models and (supported) nanoparticles." Chemical Society Reviews 41(24):8009-8020.  doi:10.1039/C2CS35160A

Gao F, JH Kwak, JH Lee, DN Tran, CHF Peden, K Howden, Y Cheng, J Lupescu, G Cavattaio, C Lambert, and RW McCabe. 2012. "Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials." Chapter III.9 in Advanced Combustion Engine Research and Development 2012 Annual Progress Report, vol. DOE/EE-0872, ed. G Singh, pp. III-40 - III-44.  U.S. Department of Energy, Washington DC. 

Glezakou VA, BP McGrail, and HT Schaef. 2012. "Molecular interactions of SO2 with carbonate minerals under co-sequestration conditions: a combined experimental and theoretical study." Geochimica et Cosmochimica Acta 92:265-274.  doi:10.1016/j.gca.2012.06.015

Henderson MA. 2012. "Visible Light Induced Photodesorption of NO from the a-Cr2O3(0001) Surface." Surface Science 606(3-4):505-509.  doi:10.1016/j.susc.2011.11.019

Jain A, GW Buchko, ML Reback, MJ O'Hagan, B Ginovska-Pangovska, JC Linehan, and WJ Shaw. 2012. "Active Hydrogenation Catalyst with a Structured, Peptide-Based Outer-Coordination Sphere." ACS Catalysis 2(10):2114-2118.  doi:10.1021/cs3004177

Jain A, ML Helm, JC Linehan, DL DuBois, and WJ Shaw. 2012. "Biologically Inspired Phosphino Platinum Complexes." Inorganic Chemistry Communications 22:65-67.  doi:10.1016/j.inoche.2012.04.039

Jain A, ML Reback, ML Lindstrom, CE Thogerson, ML Helm, AM Appel, and WJ Shaw. 2012. "Investigating the Role of the Outer-Coordination Sphere in [Ni(PPh2NPh-R2)2]2+ Hydrogenase Mimics." Inorganic Chemistry 51(12):6592-6602.  doi:10.1021/ic300149x

Jin H, Y Yu, WB Chrisler, Y Xiong, D Hu, and C Lei. 2012. "Delivery of MicroR A-10b with Polylysine Nanoparticles for Inhibition of Breast Cancer Cell Wound Healing." Breast Cancer: Basic and Clinical Research 6:9-19.  doi:10.4137/BCBCR.S8513

Johnson GE, TA Priest, and J Laskin. 2012. "Charge Retention by Gold Clusters on Surfaces Prepared Using Soft Landing of Mass Selected Ions ." ACS Nano 6(1):573-582.  doi:10.1021/nn2039565

Johnson GE, TA Priest, and J Laskin. 2012. "Coverage Dependent Charge Reduction of Cationic Gold Clusters on Surfaces Prepared Using Soft Landing of Mass-selected Ions." Journal of Physical Chemistry C 116(47):24977-24986.  doi:10.1021/jp308795r

Kathmann SM, CJ Mundy, GK Schenter, T Autrey, PC Aeberhard, W David, MO Jones, and T Ramirez-Cuesta. 2012. "Understanding Vibrational Anharmonicity and Phonon Dispersion in Solid Ammonia Borane." Journal of Physical Chemistry C 116(9):5926-5931.  doi:10.1021/jp207540x

Kim DH, A Yezerets, J Li, N Currier, H Chen, H. Hess, MH Engelhard, GG Muntean, and CHF Peden. 2012. "Effect of sulfur loading on the desulfation chemistry of a commercial lean NOx trap catalyst." Catalysis Today 197(1):3-8.  doi:10.1016/j.cattod.2012.05.040

Kim DH, GG Muntean, CHF Peden, K Howden, N Currier, J Li, R Stafford, A Yezerets, HY Chen, and H. Hess. 2012. "Enhanced High Temperature Performance of NOx Storage/Reduction (NSR) Materials." Chapter II.B.2 in FY 2011 Progress Report for Advanced Combustion Engine Research and Development: Energy Efficiency and Renewable Energy Vehicle Technologies Program, vol. DOE-ACE-2011AR,, ed. G Singh, pp. 182-187.  US Department of Energy, Washington DC. 

Kim DH, JH Kwak, J Szanyi, and CHF Peden. 2012. "Isothermal desulfation of pre-sulfated Pt-BaO/?-Al2O3 lean NOx trap catalysts with H2: the effect of H2 concentration and the roles of CO2 and H2O." Applied Catalysis. B, Environmental 111-112(1):342-348.  doi:10.1016/j.apcatb.2011.10.017

Laskin J, R Kong, T Song, and IK Chu. 2012. "Effect of the Basic Residue on the Energetics and Dynamics of Dissociation of Phosphopeptides." International Journal of Mass Spectrometry 330-332:295-301. 

Laskin J, Z Yang, C Lam, and IK Chu. 2012. "Energy and Entropy Effects in Dissociation of Peptide Radical Anions." International Journal of Mass Spectrometry 316-318:251-258.  doi:10.1016/j.ijms.2012.01.006

Matthiesen J, RS Smith, and BD Kay. 2012. "Probing the Mobility of Supercooled Liquid 3-Methylpentane at Temperatures Near the Glass Transition Using Rare Gas Permeation." Journal of Chemical Physics 137(6):Article No. 064509.  doi:10.1063/1.4743902

May RA, RS Smith, and BD Kay. 2012. "The Molecular Volcano Revisited: Determination of Crack Propagation and Distribution During the Crystallization of Nanoscale Amorphous Solid Water Films. ." The Journal of Physical Chemistry Letters 3(3):327-331.  doi:10.1021/jz201648g

Mei D, and Q Ge. 2012. "A DFT+U study of structure and reducibility of CenO2n-x (n?4, 0?x?n) nanoclusters." Computational and Theoretical Chemistry 987:25-31.  doi:10.1016/j.comptc.2011.11.009

Mudiyanselage KK, and J Szanyi. 2012. "NO2 uptake under practically relevant conditions on BaO/Pt(111)." Catalysis Today 181(1):116-123.  doi:10.1016/j.cattod.2011.05.033

Pearce CI, MJ Wilkins, C Zhang, SM Heald, JK Fredrickson, and JM Zachara. 2012. "Pore-Scale Characterization of Biogeochemical Controls on Iron and Uranium Speciation under Flow Conditions." Environmental Science & Technology 46(15):7992-8000.  doi:10.1021/es301050h

Peppernick SJ, AG Joly, KM Beck, and WP Hess. 2012. "Near-Field Focused Photoemission from Polystyrene Microspheres Studied with Photoemission Electron Microscopy." Journal of Chemical Physics 137(1):124202-1/9.  doi:10.1063/1.4730598

Petrik NG, and GA Kimmel. 2012. "Adsorption geometry of CO versus coverage on TiO2(110) from s- and p-polarized infrared spectroscopy." Journal of Physical Chemistry Letters 3(23):3425-3430.  doi:10.1021/jz301413v

Shaw WJ. 2012. "The outer-coordination sphere: incorporating amino acids and peptides as ligands for homogeneous catalysts to mimic enzyme function." Catalysis Reviews: Science and Engineering 54(4):489-550.  doi:10.1080/01614940.2012.679453

Shen M, and MA Henderson. 2012. "Role of Water in Methanol Photochemistry on Rutile TiO2(110)." Journal of Physical Chemistry C 116(35):18788-18795.  doi:10.1021/jp3046774

Shi Z, JM Zachara, L Shi, Z Wang, DA Moore, DW Kennedy, and JK Fredrickson. 2012. "Redox reactions of reduced flavin mononucleotide (FMN), riboflavin (RBF), and anthraquinone-2,6-disulfonate (AQDS) with ferrihydrite and lepidocrocite." Environmental Science & Technology 46(21):11644-11652.  doi:10.1021/es301544b

Szanyi J, M Daturi, G Clet, DR Baer, and CHF Peden. 2012. "Well-studied Cu-BTC still serves surprises: evidence for facile Cu2+/Cu+ interchange." Physical Chemistry Chemical Physics. PCCP 14(13):4383-4390.  doi:10.1039/c2cp23708c

van der Eide EF, P Yang, ED Walter, TL Liu, and RM Bullock. 2012. "Dinuclear Metalloradicals Featuring Unsupported Metal-Metal Bonds." Angewandte Chemie International Edition 51(33):8361-8364.  doi:10.1002/anie.201203531

van der Eide EF, TL Liu, DM Camaioni, ED Walter, and RM Bullock. 2012. "Facile Thermal W-W Bond Homolysis in the N-Heterocyclic Carbene-Containing Tungsten Dimer [CpW(CO)2(IMe)]2." Organometallics 31(5):1775-1789.  doi:10.1021/om201162g

Yoo S, and SS Xantheas. 2012. "Enhancement of Hydrogen Storage Capacity in Hydrate Lattices." Chemical Physics Letters 525-526:13-18.  doi:10.1016/j.cplett.2011.12.036

Yoo S, and SS Xantheas. 2012. "Structures, Energetics and Spectroscopic Fingerprints of Water Clusters n = 2-24." Chapter 21 in Handbook of Computational Chemistry, vol. 2, ed. J. Leszczynski, pp. 761-792.  Springer, New York, NY. 

Zachara JM, MD Freshley, GV Last, RE Peterson, and BN Bjornstad. 2012. Updated Conceptual Model for the 300 Area Uranium Groundwater PlumePNNL-22048, Pacific Northwest National Laboratory, Richland, WA. 

Zelenyuk A, D Imre, J Beranek, EH Abramson, JM Wilson, and MKB Shrivastava. 2012. "Synergy between Secondary Organic Aerosols and Long Range Transport of Polycyclic Aromatic Hydrocarbons." Environmental Science & Technology 46(22):12459-12466.  doi:10.1021/es302743z

Zhang L, AM Karim, MH Engelhard, Z Wei, DL King, and Y Wang. 2012. "Correlation of Pt-Re Surface Properties with Reaction Pathways for the Aqueous-Phase Reforming of Glycerol." Journal of Catalysis 287(1):37-43.  doi:10.1016/j.jcat.2011.11.015

Aijaz A, AJ Karkamkar, YJ Choi, N Tsumori, E Ronnebro, T Autrey, H Shioyama, and Q Xu. 2012. "Immobilizing Highly Catalytically Active Pt Nanoparticles inside the Pores of Metal-Organic Framework: A Double Solvents Approach ." Journal of the American Chemical Society 134(34):13926-13929.  doi:10.1021/ja3043905

Andersen A, SM Kathmann, MA Lilga, KO Albrecht, RT Hallen, and D Mei. 2012. "First-principles characterization of potassium intercalation in the hexagonal 2H-MoS2." Journal of Physical Chemistry C 116(2):1826-1832.  doi:10.1021/jp206555b

Atta-Fynn R, DF Johnson, EJ Bylaska, ES Ilton, GK Schenter, and WA De Jong. 2012. "Structure and Hydrolysis of the U(IV), U(V), and U(VI) Aqua Ions from Ab Initio Molecular Simulations." Inorganic Chemistry 51(5):3016-3024.  doi:10.1021/ic202338z

Baer MD, AC Stern, Y Levin, DJ Tobias, and CJ Mundy. 2012. "Electrochemical Surface Potential due to Classical Point Charge Models Drives Anion Adsorption to the Air-Water Interface." The Journal of Physical Chemistry Letters 3(11):1565-1570.  doi:10.1021/jz300302t

Bakule P, DG Fleming, O Sukhorukov, K Ishida, F Pratt, T Momose, E Torikai, SL Mielke, BC Garrett, KA Peterson, GC Schatz, and DG Truhlar. 2012. "State-Selected Reaction of Muonium with Vibrationally Excited H2." Journal of Physical Chemistry Letters 3(19):2755-2760.  doi:10.1021/jz3011496

Bateman AP, J Laskin, A Laskin, and S Nizkorodov. 2012. "Applications of High-Resolution Electrospray Ionization Mass Spectrometry to Measurements of Average Oxygen to Carbon Ratios in Secondary Organic Aerosols." Environmental Science & Technology 46(15):8315-8324.  doi:10.1021/es3017254

Bays JT, DL King, and MJ O'Hagan. 2012. Carbon-Type Analysis and Comparison of Original and Reblended FACE Diesel Fuels (FACE 2, FACE 4, and FACE 7)PNNL-21955, Pacific Northwest National Laboratory, Richland, WA. 

Beletskiy EV, JC Schmidt, XB Wang, and SR Kass. 2012. "Three Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and Transition State Analogues." Journal of the American Chemical Society 134(45):18534-18537.  doi:10.1021/ja3085862

Beranek J, D Imre, and A Zelenyuk. 2012. "Real-time Shape-based Particle Separation and Detailed In-situ Particle Shape Characterization." Analytical Chemistry 84(3):1459-1465.  doi:10.1021/ac202235z

Blanchard J, DC Gerlach, RD Scheele, ML Stewart, BD Reid, PA Gauglitz, LM Bagaasen, CC Brown, C Iovin, CH Delegard, A Zelenyuk, EC Buck, BJ Riley, and CA Burns. 2012. Uranium Oxide Aerosol Transport in Porous GraphitePNNL-21014, Pacific Northwest National Laboratory, Richland, WA. 

Breuer M, PP Zarzycki, L Shi, T Clarke, M Edwards, JN Butt, DJ Richardson, JK Fredrickson, JM Zachara, J Blumberger, and KM Rosso. 2012. "Molecular Structure and Free Energy Landscape for Electron Transport in the Deca-Heme Cytochrome MtrF." Biochemical Society: Transactions 40(6):1198-1203.  doi:10.1042/BST20120139

Camaioni DM, B Ginovska-Pangovska, GK Schenter, SM Kathmann, and T Autrey. 2012. "Analysis of the Activation and Heterolytic Dissociation of H2 by Frustrated Lewis Pairs: NH3/BX3 (X = H, F, and Cl) ." Journal of Physical Chemistry A 116(26):7228-7237.  doi:10.1021/jp3039829

Chen X, W Xu, J Xiao, MH Engelhard, F Ding, D Mei, D Hu, J Zhang, and J Zhang. 2012. "Effects of cell positive cans and separators on the performance of high-voltage Li-ion batteries." Journal of Power Sources 213:160-168.  doi:10.1016/j.jpowsour.2012.04.009

Choi YJ, Y Xu, WJ Shaw, and E Ronnebro. 2012. "Hydrogen Storage Properties of New Hydrogen-Rich BH3NH3-Metal Hydride (TiH2, ZrH2, MgH2, and/or CaH2) Composite Systems." Journal of Physical Chemistry C C116(15):8349-8358.  doi:10.1021/jp210460w

Chua YS, W Li, WJ Shaw, G Wu, T Autrey, Z Xiong, MW Wong, and P Chen. 2012. "Mechanistic Investigation on the Formation and Dehydrogenation of Calcium Amidoborane Ammoniate ." ChemSusChem 5(5):927-931.  doi:10.1002/cssc.201100523

Clark II JK, SJ Paddison, M Eikerling, M Dupuis, and TA Zawodzinski, Jr.. 2012. "A Comparative Ab Initio Study of the Primary Hydration and Proton Dissociation of Various Imide and Sulfonic Acid Ionomers." Journal of Physical Chemistry A 116(7):1801-1813.  doi:10.1021/jp209822k

Clayton DA, T McPherson, S Pan, M Chen, DA Dixon, and D Hu. 2012. "Spatial and temporal variation of surface-enhanced Raman scattering at Ag nanowires in aqueous solution." Physical Chemistry Chemical Physics. PCCP 15(3):850-859. 

Cox SJ, SM Kathmann, JA Purton, MJ Gillan, and A Michaelides. 2012. "Non Hexagonal Ice at Hexagonal Surfaces: The Role of Lattice Mismatch." Physical Chemistry Chemical Physics. PCCP 14(22):7944-7949.  doi:10.1039/c2cp23438f

Craig NC, CC Easterday, DJ Nemchick, D Williamson, and RL Sams. 2012. "Rotational Analysis of Bands in the High-Resolution Infrared Spectra of cis,cis- and trans,trans-1,4-difluorobutadiene-2-d1." Journal of Molecular Spectroscopy 272(1):2-10.  doi:10.1016/j.jms.2011.11.007

Craig NC, H Tian, and TA Blake. 2012. "Analysis of the Rotational Structure in the High-Resolution Infrared Spectrum of trans-Hexatriene-1-13C1; a Semiexperimental Equilibrium Structure for the C6 Backbone for trans-Hexatriene." Journal of Physical Chemistry A 116(12):3148-3155.  doi:10.1021/jp211791r

Dang LX, BT Truong, and B Ginovska-Pangovska. 2012. "Note: Interionic Potentials of Mean Force for Ca2+-Cl- in Polarizable Water." Journal of Chemical Physics 136(12):Article No. 126101.  doi:10.1063/1.3697840

Dang LX, GK Schenter, TM Chang, SM Kathmann, and T Autrey. 2012. "Role of Solvents on the Thermodynamics and Kinetics of Forming Frustrated Lewis Pairs." Journal of Physical Chemistry Letters 3(22):3312-3319.  doi:10.1021/jz301533a

Dang LX, HV Annapureddy, X Sun, PK Thallapally, and BP McGrail. 2012. "Understanding nanofluid stability through molecular simulation." Chemical Physics Letters 551:115-120.  doi:10.1016/j.cplett.2012.09.025

Devanathan R, NB Idupulapati, and M Dupuis. 2012. "Molecular modeling of the morphology and transport properties of two direct methanol fuel cell membranes: phenylated sulfonated poly(ether ether ketone ketone) versus Nafion." Journal of Materials Research 27(15):1927-1938.  doi:10.1557/jmr.2012.165

Devarakonda MN, RG Tonkyn, and JH Lee. 2012. "Modeling Species Inhibition and Competitive Adsorption in Urea-SCR Catalysts." In SAE World Congress and Exhibition, April 24-26, 2012, Detroit, Michigan, pp. SAE Technical Paper 2012-01-1295.  SAE International, Warrendale, PA.  doi:10.4271/2012-01-1295

Devarakonda MN, DR Herling, DH Kim, JH Kwak, CHF Peden, ML Stewart, A Strzelec, J Szanyi, DN Tran, and JH Lee. 2012. "CLEERS Aftertreatment Modeling and Analysis." Chapter II.B.1 in FY 2011 Progress Report for Advanced Combustion Engine Research and Development: Energy Efficiency and Renewable Energy Vehicle Technologies Program, vol. DOE-ACE-2011AR, ed. G Singh, pp. 176-181.  US Department of Energy, Washington DC. 

Dixon DA, M Dupuis, BC Garrett, JB Neaton, C Plata, MA Tarr, JF Tomb, and JT Golab. 2012. Harnessing the Department of Energy’s High-Performance Computing Expertise to Strengthen the U.S. Chemical EnterprisePNNL-20896, Pacific Northwest National Laboratory, Richland, WA. 

Du Y, NG Petrik, NA Deskins, Z Wang, MA Henderson, GA Kimmel, and I Lyubinetsky. 2012. "Hydrogen Reactivity on Highly-hydroxylated TiO2(110) Surfaces Prepared via Carboxylic Acid Adsorption and Photolysis." Physical Chemistry Chemical Physics. PCCP 14(9):3066-3074.  doi:10.1039/C1CP22515D

Duxbury G, JF Kelly, TA Blake, and N Langford. 2012. "Observation of Infrared Free-Induction Decay and Optical Nutation Signals from Nitrous Oxide Using a Current Modulated Quantum Cascade Laser." Journal of Chemical Physics 136(17):174317.  doi:10.1063/1.4710540

Duxbury G, JF Kelly, TA Blake, and N Langford. 2012. "Sub-Doppler Spectra of Infrared Hyperfine Transitions of Nitric Oxide Using a Pulse Modulated Quantum Cascade Laser: Rapid Passage, Free Induction Decay and the AC Stark Effect ." Journal of Chemical Physics 136(17):174319.  doi:10.1063/1.4710542

Duxbury G, JF Kelly, TA Blake, and N Langford. 2012. "The AC-Stark Effect in Nitric Oxide Induced by Rapidly Swept Continuous Wave Quantum Cascade Lasers." Journal of Chemical Physics 136(17):174318.  doi:10.1063/1.4710541

Eckert PA, PJ Roach, A Laskin, and J Laskin. 2012. "Chemical Characterization of Crude Petroleum Using Nanospray Desorption Electrospray Ionization Coupled with High-Resolution Mass Spectrometry." Analytical Chemistry 84(3):1517-1525.  doi:10.1021/ac202801g

Edwards M, A Hall, L Shi, JK Fredrickson, JM Zachara, JN Butt, D Richardson, and TA Clarke. 2012. "The Crystal Structure of the Extracellular 11-heme Cytochrome UndA Reveals a Conserved 10-heme Motif and Defined Binding Site for Soluble Iron Chelates." Structure 20(7):1275-1284.  doi:10.1016/j.str.2012.04.016

Edwards M, JK Fredrickson, JM Zachara, D Richardson, and TA Clarke. 2012. "Analysis of Structural MtrC Models Based on Homology with the Crystal Structure of MtrF." Biochemical Society: Transactions 40(6):1181-1185.  doi:10.1042/BST20120132

Evans JE, KL Jungjohann, PCK Wong, PL Chiu, GH Dutrow, I Arslan, and ND Browning. 2012. "Visualizing Macromolecular Complexes with In Situ Liquid Scanning Transmission Electron Microscopy." Micron 43(11):1085-1090.  doi:10.1016/j.micron.2012.01.018

Flaherty DW, NT Hahn, RA May, SP Berglund, YM Lin, KJ Stevenson, Z Dohnalek, BD Kay, and CB Mullins. 2012. "Reactive Ballistic Deposition of Nanostructured Model Materials for Electrochemical Energy Conversion and Storage ." Accounts of Chemical Research 45(3):434-443.  doi:10.1021/ar200164u

Fooshee DR, TB Nguyen, SA Nizkorodov, J Laskin, A Laskin, and P Baldi. 2012. "COBRA: A Computational Brewing Application for Predicting the Molecular Composition of Organic Aerosols." Environmental Science & Technology 46(11):6048-6055.  doi:10.1021/es3003734

Fulton JL, EJ Bylaska, SA Bogatko, M Balasubramanian, EL Cauet, GK Schenter, and JH Weare. 2012. "Near quantitative agreement of model free DFT- MD predictions with XAFS observations of the hydration structure of highly charged transition metal ions." The Journal of Physical Chemistry Letters 3(18):2588-2593.  doi:10.1021/jz3008497

Gao F, DH Kim, J Luo, GG Muntean, CHF Peden, K Howden, N Currier, K Kamasamudram, A Kumar, J Li, R Stafford, A Yezerets, M Castagnola, HY Chen, and H. Hess. 2012. "Enhanced High Temperature Performance of NOx Reduction Catalyst Materials." Chapter III.2 in Advanced Combustion Engine Research and Development 2012 Annual Progress Report, vol. DOE/EE-0872, ed. G Singh, pp. III-8 - III-12.  U.S. Department of Energy, Washington DC. 

Glezakou VA, JE Jaffe, RJ Rousseau, D Mei, SM Kathmann, KO Albrecht, MJ Gray, and MA Gerber. 2012. "The Role of Ir in Ternary Rh-Based Catalysts for Syngas Conversion to C2+ Oxygenates." Topics in Catalysis 55(7-10):595-600.  doi:10.1007/s11244-012-9836-9

Guo JC, G Hou, SD Li, and XB Wang. 2012. "Probing the Low-lying Electronic States of Cyclobutanetetraone (C4O4) and its Radical Anion: A Low-Temperature Anion Photoelectron Spectroscopic Approach." The Journal of Physical Chemistry Letters 3(3):304-308.  doi:10.1021/jz201593z

He X, O Sode, SS Xantheas, and S Hirata. 2012. "Second-order many-body perturbation study of ice Ih." Journal of Chemical Physics 137(20):204505-8. 

Hou G, H Wen, KA Lopata, W Zheng, K Kowalski, N Govind, XB Wang, and SS Xantheas. 2012. "A Combined Gas-Phase Photoelectron Spectroscopic and Theoretical Study of Zeise's Anion and Its Bromine and Iodine Analogues." Angewandte Chemie International Edition 51(26):6356-6360.  doi:10.1002/anie.201201959

Hu JZ, JA Sears, Jr, HS Mehta, JJ Ford, JH Kwak, K Zhu, Y Wang, J Liu, DW Hoyt, and CHF Peden. 2012. "A Large Sample Volume Magic Angle Spinning Nuclear Magnetic Resonance Probe for In-Situ Investigations with Constant Flow of Reactants." Physical Chemistry Chemical Physics. PCCP 14(7):2137-2143.  doi:10.1039/c1cp22692d

Hu MY, J Feng, DM Camaioni, RVF Turcu, CHF Peden, JA Lercher, and JZ Hu. 2012. "IN-SITU MAGIC ANGLE SPINNING NMR INVESTIGATIONS ON CATALYTIC CONVERSION OF BIOGENIC MOLECULES IN THE PRESENCE OF AQUEOUS WATER." In Proceedings of the 244th American Chemical Society National Meeting and Exposition, Division of Petroleum Chemistry, August 19-23, 2012, Philadelphia, PA, vol. 57, no. 2, pp. 215-217.  American Chemical Society, Washington DC. 

Huang Z, and T Autrey. 2012. "Boron-nitrogen-hydrogen (BNH) compounds: recent developments in hydrogen storage, applications in hydrogenation and catalysis, and new syntheses." Energy & Environmental Science 5(11):9257-9268.  doi:10.1039/c2ee23039a

Isheim D, J Kaszpurenko, D Yu, Z Mao, DN Seidman, and I Arslan. 2012. "3-D Atomic-Scale Mapping of Manganese Dopants in Lead Sulfide Nanowires ." Journal of Physical Chemistry C 116(11):6595-6600.  doi:10.1021/jp300162t

Jeong S, H Kim, JA Bae, DH Kim, CHF Peden, YK Park, and JK Jeon. 2012. "Synthesis of butenes through 2-butanol dehydration over mesoporous materials produced from ferrierite." Catalysis Today 185(1):191-197.  doi:10.1016/j.cattod.2011.09.017

Johnson TC, RJ Versteeg, ML Rockhold, LD Slater, D Ntarlagiannis, WJ Greenwood, and JM Zachara. 2012. "Characterization of a contaminated wellfield using 3D electrical resistivity tomography implemented with geostatistical, discontinuous boundary, and known conductivity constraints." Geophysics 77(6):Article No. EN85.  doi:10.1190/geo2012-0121.1

Johnson TJ, YF Su, KH Jarman, BM Kunkel, JC Birnbaum, AG Joly, EG Stephan, RG Tonkyn, RG Ewing, and GC Dunham. 2012. "Demonstrated Wavelength Portability of Raman Reference Data for Explosives and Chemical Detection." International Journal of Spectroscopy 2012:Article No. 297056.  doi:10.1155/2012/297056

Jungjohann KL, JE Evans, J Aguiar, I Arslan, and ND Browning. 2012. "Atomic-Scale Imaging and Spectroscopy for In Situ Liquid Scanning Transmission Electron Microscopy." Microscopy and Microanalysis 18(3):621-627.  doi:10.1017/S1431927612000104

Kangas LJ, TO Metz, G Isaac, BT Schrom, B Ginovska-Pangovska, L Wang, L Tan, RR Lewis, and JH Miller. 2012. "In Silico Identification Software (ISIS): A Machine Learning Approach to Tandem Mass Spectral Identification of Lipids." Bioinformatics 28(13):1705-1713.  doi:10.1093/bioinformatics/bts194

Kaspar TC, ME Bowden, T Varga, CM Wang, V Shutthanandan, AG Joly, BD Wirth, and RJ Kurtz. 2012. "Structural characterization of epitaxial CrxMo1-x alloy thin films." Journal of Physics. Condensed Matter 24(9):095001.  doi:10.1088/0953-8984/24/9/095001

Kelly JF, TA Blake, BE Bernacki, and TJ Johnson. 2012. "Design Considerations for a Portable Raman Probe Spectrometer for Field Forensics." International Journal of Spectroscopy 2012:Article No. 938407.  doi:10.1155/2012/938407

Kelly JF, RL Sams, TA Blake, MK Newburn, JJ Moran, ML Alexander, and HW Kreuzer. 2012. "A Capillary Absorption Spectrometer for Stable Carbon Isotope Ratio (13C/12C) Analysis in Very Small Samples." Review of Scientific Instruments 83(2):Article No. 023101.  doi:10.1063/1.3680593

Kim B, Z Li, BD Kay, Z Dohnalek, and YK Kim. 2012. "The effect of oxygen vacancies on the binding interactions of NH3 with rutile TiO2(110) -1x1." Physical Chemistry Chemical Physics. PCCP 14(43):15060-15065.  doi:10.1039/C2CP42754K

Kim B, Z Li, BD Kay, Z Dohnalek, and YK Kim. 2012. "Unexpected Nondissociative Binding of N2O on Oxygen Vacancies on a Rutile TiO2(110)-1x1 ." Journal of Physical Chemistry C 116(1):1145-1150.  doi:10.1021/jp210636j

Kim DH, KK Mudiyanselage, J Szanyi, H Zhu, JH Kwak, and CHF Peden. 2012. "Characteristics of Pt-K/MgAl2O4 lean NOx trap catalysts." Catalysis Today 184(1):2-7.  doi:10.1016/j.cattod.2011.11.024

Kimmel GA, MD Baer, NG Petrik, J VandeVondele, RJ Rousseau, and CJ Mundy. 2012. "Polarization- and Azimuth-Resolved Infrared Spectroscopy of Water on TiO2(110): Anisotropy and the Hydrogen-Bonding Network." The Journal of Physical Chemistry Letters 3(6):778-784.  doi:10.1021/jz3001079

Kirkpatrick RW, T Masiello, MA Martin, JW Nibler, A Maki, A Weber, and TA Blake. 2012. "High-resolution infrared studies of the ?10, ?11, ?14, and ?18 levels of [1.1.1]propellane." Journal of Molecular Spectroscopy 281:51-62.  doi:10.1016/j.jms.2012.09.001

Kuvychko IV, JB Whitaker, BW Larson, T Folsom, N Shustova, S Avdoshenko, YS Chen, H Wen, XB Wang, L Dunsch, AA Popov, OV Boltalina, and SH Strauss. 2012. "Substituent Effects In a Series of 1,7-C60(RF)2 Compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): Electron Affinities, Reduction Potentials, and E(LUMO) Values Are Not Always Correlated." Chemical Science 3(5):1399-1407.  doi:10.1039/C2SC01133F

Kwak JH, DH Kim, J Szanyi, SJ Cho, and CHF Peden. 2012. "Enhanced high temperature performance of MgAl2O4-supported Pt-BaO lean NOx trap catalysts." Topics in Catalysis 55(1-2):70-77.  doi:10.1007/s11244-012-9779-1

Kwak JH, H Zhu, JH Lee, CHF Peden, and J Szanyi. 2012. "Two different cationic positions in Cu-SSZ-13? ." Chemical Communications 48(39):4758-4760.  doi:10.1039/C2CC31184D

Kwak JH, DN Tran, J Szanyi, CHF Peden, and JH Lee. 2012. "The Effect of Copper Loading on the Selective Catalytic Reduction of Nitric Oxide by Ammonia Over Cu-SSZ-13." Catalysis Letters 142(3):295-301.  doi:10.1007/s10562-012-0771-y

Kwak JH, DN Tran, SD Burton, J Szanyi, JH Lee, and CHF Peden. 2012. "Effects of Hydrothermal Aging on NH3-SCR reaction over Cu/zeolites." Journal of Catalysis 287(1):203-209.  doi:10.1016/j.jcat.2011.12.025

Kwak JH, RG Tonkyn, DN Tran, D Mei, SJ Cho, L Kovarik, JH Lee, CHF Peden, and J Szanyi. 2012. "Size-dependent catalytic performance of CuO on ?-Al2O3: NO reduction versus NH3 oxidation." ACS Catalysis 2(7):1432-1440.  doi:10.1021/cs3002463

Lambrecht DS, L McCaslin, SS Xantheas, E Epifanovsky, and MP Head-Gordon. 2012. "Refined Energetic Ordering for Sulfate-Water (n=3-6) Clusters Using High-Level Electronic Structure Calculations." Molecular Physics 110(19-20):2513-2521.  doi:10.1080/00268976.2012.708442

Lanekoff IT, BS Heath, AV Liyu, M Thomas, JP Carson, and J Laskin. 2012. "An Automated Platform for High-Resolution Tissue Imaging Using Nanospray Desorption Electrospray Ionization Mass Spectrometry." Analytical Chemistry 84(19):8351-8356. 


Laskin J, BS Heath, PJ Roach, LH Cazares, and OJ Semmes. 2012. "Tissue Imaging Using Nanospray Desorption Electrospray Ionization Mass Spectrometry." Analytical Chemistry 84(1):141-148.  doi:10.1021/ac2021322

Laskin J, PA Eckert, PJ Roach, BS Heath, SA Nizkorodov, and A Laskin. 2012. "Chemical Analysis of Complex Organic Mixtures Using Reactive Nanospray Desorption Electrospray Ionization Mass Spectrometry." Analytical Chemistry 84(16):7179-7187.  doi:10.1021/ac301533z

Lense S, MH Ho, S Chen, A Jain, S Raugei, JC Linehan, JA Roberts, AM Appel, and WJ Shaw. 2012. "Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base." Organometallics 31(19):6719-6731.  doi:10.1021/om300409y

Li SC, Z Li, Z Zhang, BD Kay, RJ Rousseau, and Z Dohnalek. 2012. "Preparation, Characterization, and Catalytic Properties of Tungsten Trioxide Cyclic Trimers on FeO(111)/Pt(111)." Journal of Physical Chemistry C 116(1):908-916.  doi:10.1021/jp2093324

Li Z, B Smid, YK Kim, V Matolin, BD Kay, RJ Rousseau, and Z Dohnalek. 2012. "Alcohol Dehydration on Monooxo W=O and Dioxo O=W=O Species ." Journal of Physical Chemistry Letters 3(16):2168-2172.  doi:10.1021/jz300885v

Lin X, Y Yoon, NG Petrik, Z Li, Z Wang, VA Glezakou, BD Kay, I Lyubinetsky, GA Kimmel, RJ Rousseau, and Z Dohnalek. 2012. "Structure and Dynamics of CO2 on Rutile TiO2(110)-1x1." Journal of Physical Chemistry C 116(50):26322-26334. 

Liu J, Z Wang, SM Belchik, M Edwards, C Liu, DW Kennedy, ED Merkley, MS Lipton, JN Butt, D Richardson, JM Zachara, JK Fredrickson, KM Rosso, and L Shi. 2012. "Identification and Characterization of MtoA: a Decaheme c-Type Cytochrome of the Neutrophilic Fe(II)-oxidizing Bacterium Sideroxydans lithotrophicus ES-1." Frontiers in Microbiological Chemistry 3:Article No. 37.  doi:10.3389/fmicb.2012.00037

Liu P, IT Lanekoff, J Laskin, HD Dewald, and H Chen. 2012. "Study of Electrochemical Reactions Using Nanospray Desorption Electrospray Ionization Mass Spectrometry." Analytical Chemistry 84(13):5737-5743.  doi:10.1021/ac300916k

Liu TL, S Chen, MJ O'Hagan, M Rakowski DuBois, RM Bullock, and DL DuBois. 2012. "Synthesis, Characterization and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2 ." Journal of the American Chemical Society 134(14):6257-6272.  doi:10.1021/ja211193j

Ma R, C Zheng, JM Zachara, and MJ Tonkin. 2012. "Utility of Bromide and Heat Tracers for Aquifer Characterization Affected by Highly Transient Flow Conditions." Water Resources Research 48(W08523 ):, doi:10.1029/2011WR011281

Marritt S, DG McMillan, L Shi, JK Fredrickson, JM Zachara, DJ Richardson, LJ Jeuken, and JN Butt. 2012. "The roles of CymA in support of the respiratory flexibility of Shewanella oneidensis MR-1." Biochemical Society: Transactions 40(6):1217-1221.  doi:10.1042/BST20120150

Marritt S, TG Lowe, J Bye, DG McMillan, L Shi, JK Fredrickson, JM Zachara, DJ Richardson, MR Cheesman, LJ Jeuken, and JN Butt. 2012. "A Functional Description of CymA, an Electron Transfer Hub Supporting Anaerobic Respiratory Flexibility in Shewanella." Biochemical Journal 444(3):465-474.  doi:10.1042/BJ20120197

Matthias N, C Farron, DE Foster, M Andrie, R Krieger, P Najt, K Narayanaswamy, A Solomon, and A Zelenyuk. 2012. "Particulate Matter Sampling and Volatile Organic Compound Removal for Characterization of Spark Ignited Direct Injection Engine Emissions." In SAE Technical Papers, pp. Paper No. 2011-01-2100.  SAE International, Warrendale, PA.  doi:10.4271/2011-01-2100

Matthias N, C Farron, DE Foster, M Andrie, R Krieger, P Najt, K Narayanaswamy, AS Solomon, and A Zelenyuk. 2012. "Particulate Matter Sampling and Volatile Organic Compound Removal for Characterization of Spark Ignited Direct Injection Engine Emissions ." SAE International Journal of Fuels and Lubricants 5(1):399-409. 

Matthias N, C Farron, DE Foster, M Andrie, R Krieger, PM Najt, K Narayanaswamy, AS Solomon, and A Zelenyuk. 2012. "Particulate Matter Sampling and Volatile Organic Compound Removal for Characterization of Spark Ignited Direct Injection Engine Emissions." SAE International Journal of Fuels and Lubricants 5(1):399-409.  doi:10.4271/2011-01-2100

Muntean GG, MN Devarakonda, F Gao, JH Kwak, JY Luo, CHF Peden, ML Stewart, J Szanyi, DN Tran, and K Howden. 2012. "CLEERS Aftertreatment Modeling and Analysis." Chapter III.1 in Advanced Combustion Engine Research and Development 2012 Annual Progress Report, vol. DIE/EE-0872, ed. G Singh, pp. III-3 - III-7.  U.S. Department of Energy, Washington DC. 

Murdachaew G, M Valiev, SM Kathmann, and XB Wang. 2012. "Study of Ion Specific Interactions of Alkali Cations with Dicarboxylate Dianions." Journal of Physical Chemistry A 116(9):2055-2061.  doi: 10.1021/jp3012848

Nguyen PT, VT Nguyen, HV Annapureddy, LX Dang, and DD Do. 2012. "Thermodynamics and Kinetics of Na+/K+-Formate Ion Pairs Association in Polarizable Water: A Molecular Dynamics Study." Chemical Physics Letters 554:90-95.  doi:10.1016/j.cplett.2012.10.049

Nguyen TB, A Laskin, J Laskin, and S Nizkorodov. 2012. "Direct Aqueous Photochemistry of Isoprene High-NOx Secondary Organic Aerosol." Physical Chemistry Chemical Physics. PCCP 14(27):9702-9714.  doi:10.1039/c2cp40944e

Nguyen TB, PB Lee, KM Updyke, DL Bones, J Laskin, A Laskin, and S Nizkorodov. 2012. "Formation of Nitrogen- and Sulfur-Containing Light-Absorbing Compounds Accelerated by Evaporation of Water from Secondary Organic Aerosols." Journal of Geophysical Research. D. (Atmospheres) 117:D01207.  doi:10.1029/2011JD016944

Nigra MM, I Arslan, and A Katz. 2012. "Gold nanoparticle-catalyzed reduction in a model system: Quantitative determination of reactive heterogeneity of a supported nanoparticle surface." Journal of Catalysis 295:115-121.  doi:10.1016/j.jcat.2012.08.001

O'Hagan MJ, MH Ho, JY Yang, AM Appel, M Rakowski DuBois, S Raugei, WJ Shaw, DL DuBois, and RM Bullock. 2012. "Proton Delivery and Removal in [Ni(PR2NR'2)2]2+ Hydrogen Production and Oxidation Catalysts." Journal of the American Chemical Society 134(47):19409-19424.  doi:10.1021/ja307413x

Parent LR, DR Robinson, TJ Woehl, WD Ristenpart, JE Evans, ND Browning, and I Arslan. 2012. "Direct in Situ Observation of Nanoparticle Synthesis in a Liquid Crystal Surfactant Template." ACS Nano 6(4):3589-3596.  doi:10.1021/nn300671g

Peden CHF, JH Kwak, SD Burton, RG Tonkyn, DH Kim, JH Lee, HW Jen, G Cavattaio, Y Cheng, and C Lambert. 2012. "Possible Origin of Improved High Temperature Performance of Hydrothermally Aged Cu/Beta Zeolite Catalysts." Catalysis Today 184(1):245-251.  doi:10.1016/j.cattod.2011.11.008

Peng T, AV Nguyen, H Peng, and LX Dang. 2012. "A Quantitative Analysis of Aqueous Nanofilm Rupture by Molecular Dynamic Simulation." Journal of Physical Chemistry B 116(3):1035-1042.  doi:10.1021/jp208896y

Peng T, TM Chang, X Sun, AV Nguyen, and LX Dang. 2012. "Development of ions-TIP4P-Ew force fields for molecular processes in bulk and at the aqueous interface using molecular simulations ." Journal of Molecular Liquids 173:47-54.  doi:10.1016/j.molliq.2012.05.023

Peretyazhko T, JM Zachara, RK Kukkadapu, SM Heald, IV Kutnyakov, CT Resch, BW Arey, CM Wang, L Kovarik, JL Phillips, and DA Moore. 2012. "Pertechnetate (TcO4-) reduction by reactive ferrous iron forms in naturally anoxic, redox transition zone sediments from the Hanford Site, USA." Geochimica et Cosmochimica Acta 92:48-66. 

Perraud VM, EA Bruns, MJ Ezell, SN Johnson, Y Yu, ML Alexander, A Zelenyuk, D Imre, WL Chang, D Dabdub, JF Pankow, and BJ Finlayson-Pitts. 2012. "Nonequilibrium Atmospheric Secondary Organic Aerosol Formation and Growth." Proceedings of the National Academy of Sciences of the United States of America 109(8):2836-2841.  doi:10.1073/pnas.1119909109

Perry AJ, MA Martin, JW Nibler, AG Maki, A Weber, and TA Blake. 2012. "Coriolis Analysis of Several High-Resolution Infrared Bands of Bicyclo[111]pentane-d(0) and -d(1) ." Journal of Molecular Spectroscopy 276-277:22-32.  doi:10.1016/j.jms.2012.06.008

Phillips MC, JD Suter, BE Bernacki, and TJ Johnson. 2012. "Challenges of infrared reflective spectroscopy of solid-phase explosives and chemicals on surfaces." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XIII, April 23, 2012, Baltimore, Maryland. Proceedings of the SPIE, vol. 8358, ed. AW Fountain III, p. Paper No. 83580T.  SPIE , Bellingham, WA.  doi:10.1117/12.919477

Pool DH, MP Stewart, II, MJ O'Hagan, WJ Shaw, JA Roberts, RM Bullock, and DL DuBois. 2012. "Acidic Ionic Liquid/Water Solution as Both Medium and Proton Source for Electrocatalytic H2 Evolution by [Ni(P2N2)2]2+ Complexes." Proceedings of the National Academy of Sciences of the United States of America 109(39):15634-15639.  doi:10.1073/pnas.1120208109

Quigley D, D Freshwater, MS Alnajjar, D Siegel, M Kuntamukkula, and F Simmons. 2012. "Use of Chemical Inventory Accuracy Measurements as Leading Indicators." Journal of Chemical Health & Safety 19(3):18-22.  doi:10.1016/j.jchas.2011.08.002

Raugei S, S Chen, MH Ho, B Ginovska-Pangovska, RJ Rousseau, M Dupuis, DL DuBois, and RM Bullock. 2012. "The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes." Chemistry - A European Journal 18(21):6493-6506.  doi:10.1002/chem.201103346

Richardson D, JK Fredrickson, and JM Zachara. 2012. "Electron Transport at the Microbe-Mineral Interface: A Synthesis of Current Research Challenges." Biochemical Society: Transactions 40(6):1163-1166.  doi:10.1042/BST20120242

Richardson DJ, JN Butt, JK Fredrickson, JM Zachara, L Shi, MJ Edwards, GF White, N Baiden, AJ Gates, S Marritt, and TA Clarke. 2012. "The ‘porin-cytochrome’ model for microbe-to-mineral electron transfer." Molecular Microbiology 85(2):201-212.  doi:10.1111/j.1365-2958.2012.08088.x

Richardson DJ, M Edwards, GF White, N Baiden, RS Hartshorne, JK Fredrickson, L Shi, JM Zachara, AJ Gates, JN Butt, and T Clarke. 2012. "Exploring the biochemistry at the extracellular redox frontier of bacterial mineral Fe(III) respiration." Biochemical Society: Transactions 40(3):493-500. 

Sams RL, SS Xantheas, and TA Blake. 2012. "Vapor Phase Infrared Spectroscopy and Ab Initio Fundamental Anharmonic Frequencies of Ammonia Borane." Journal of Physical Chemistry A 116(12):3124-3136.  doi:10.1021/jp2115753

Schmieg SJ, SH Oh, CH Kim, DB Brown, JH Lee, CHF Peden, and DH Kim. 2012. "Thermal Durability of Cu-CHA NH3-SCR Catalysts for Diesel NOx Reduction." Catalysis Today 184(1):252-261.  doi:10.1016/j.cattod.2011.10.034

Sego LH, A Marquez, A Rawson, T Cader, KM Fox, WI Gustafson, Jr, and CJ Mundy. 2012. "Implementing the Data Center Energy Productivity Metric." ACM Journal on Emerging Technologies in Computing Systems 8(4):Article No. 30.  doi:10.1145/2367736.2367741

Seu C, AM Appel, MD Doud, DL DuBois, and C Kubiak. 2012. "Formate oxidation via ??-deprotonation in [Ni(PR2NR'2)2(CH3CN)]2+ complexes." Energy & Environmental Science 5(4):6480-6490.  doi:10.1039/c2ee03341k

Shantz NC, I Gultepe, P Liu, M Earle, and A Zelenyuk. 2012. "Spatial and Temporal Variability of Aerosol Particles in Arctic Spring." Quarterly Journal of the Royal Meteorological Society 138(669):2229-2240.  doi:10.1002/qj.1940

She X, JH Kwak, J Sun, JZ Hu, MY Hu, CM Wang, CHF Peden, and Y Wang. 2012. "Highly Dispersed and Active ReOx on Alumina-Modified SBA-15 Silica for 2-Butanol Dehydration." ACS Catalysis 2(6):1020-1026.  doi:10.1021/cs2006444

Shen M, DP Acharya, Z Dohnalek, and MA Henderson. 2012. "Importance of Diffusion in Methanol Photochemistry on TiO2(110)." Journal of Physical Chemistry C 116(48):25465-25469.  doi:10.1021/jp309768b

Sheng P, Q Hu, RP Ewing, C Liu, and JM Zachara. 2012. "Quantitative 3-D Elemental Mapping by LA-ICP-MS of a Basaltic Clast from the Hanford 300 Area, Washington, USA." Environmental Science & Technology 46(4):2025-2032.  doi:10.1021/es2023785

Shi L, KM Rosso, JM Zachara, and JK Fredrickson. 2012. "Mtr Extracellular Electron Transfer Pathways in Fe(III)-reducing or Fe(II)-oxidizing Bacteria: A Genomic Perspective." Biochemical Society: Transactions 40(6):1261-1267.  doi:10.1042/BST20120098

Shi L, KM Rosso, TA Clarke, DJ Richardson, JM Zachara, and JK Fredrickson. 2012. "Molecular Underpinnings of Fe(III) Oxide Reduction by Shewanella oneidensis MR-1." Frontiers in Microbiological Chemistry 3:Article No. 50.  doi:10.3389/fmicb.2012.00050

Shokri A, JC Schmidt, XB Wang, and SR Kass. 2012. "Characterization of a Saturated and Flexible Aliphatic Polyol Anion Receptor." Journal of the American Chemical Society 134(41):16944-16947.  doi:10.1021/ja3075456

Shokri A, JC Schmidt, XB Wang, and SR Kass. 2012. "Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds." Journal of the American Chemical Society 134(4):2094-2099.  doi:10.1021/ja2081907

Shutthanandan V, Z Zhu, ML Stutzman, F Hannon, C Hernandez-Garcia, MI Nandasiri, SVNT Kuchibhatla, S Thevuthasan, and WP Hess. 2012. "Surface Science Analysis of GaAs Photocathodes Following Sustained Electron Beam Delivery." Physical Review Special Topics - Accelerators and Beams 15(6):063501.  doi:10.1103/PhysRevSTAB.15.063501

Smid B, Z Li, A Dohnalkova, BW Arey, RS Smith, V Matolin, BD Kay, and Z Dohnalek. 2012. "Characterization of Nanoporous WO3 Films Grown via Ballistic Deposition." Journal of Physical Chemistry C 116(19):10649-10655.  doi:10.1021/jp3015723

Smith RS, NG Petrik, GA Kimmel, and BD Kay. 2012. "Thermal and Non-thermal Physiochemical Processes in Nanoscale Films of Amorphous Solid Water." Accounts of Chemical Research 45(1):33-42.  doi:10.1021/ar200070w

Smith RS, and BD Kay. 2012. "Breaking Through the Glass Ceiling: Recent Experimental Approaches to Probe the Properties of Supercooled Liquids near the Glass Transition." The Journal of Physical Chemistry Letters 3(6):725-730.  doi:10.1021/jz201710z

Smith SE, JY Yang, DL DuBois, and M Bullock. 2012. "Reversible Electrocatalytic Production and Oxidation of Hydrogen at Low Overpotentials by a Functional Hydrogenase Mimic." Angewandte Chemie International Edition 51(13):3152-3155.  doi:10.1002/anie.201108461

Stewart ML, A Zelenyuk, and K Howden. 2012. "Fuel-Neutral Studies of PM Transportation Emissions." Chapter III.I0 in Advanced Combustion Engine Research and Development Vehicle Technologies Office 2012 Annual Progress Report, vol. DOE/EE-0872, ed. G Singh, pp. III-45 - III-49.  U.S. Department of Energy, Washington DC. 

Sweet LE, EC Buck, CH Henager, Jr, SY Hu, DE Meier, SM Peper, JM Schwantes, YF Su, RL Sams, TA Blake, TJ Johnson, TJ Kulp, RL Sommers, JD Sugar, and JD Chames. 2012. "Investigations into the Polymorphs and Hydration Products of UO3." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XIII, April 24, 2012, Baltimore, Maryland. Proceedings of the SPIE, vol. 8358, ed. AW Fountain III, p. Article No. 83581R.  SPIE, Bellingham, WA.  doi:10.1117/12.919706

Thomas M, BS Heath, J Laskin, D Li, EC Liu, KL Hui, AP Kuprat, K Kleese van Dam, and JP Carson. 2012. "Visualization of High Resolution Spatial Mass Spectrometric Data during Acquisition." In 2012 Annual International Conference of the IEEE Engineering in Medicine and Biology Society (EMBC), August 28 - September 1, San Diego, California, pp. 5545-5548.  IEEE, Piscataway, NJ.  doi:10.1109/EMBC.2012.6347250

Tolmachev AV, EW Robinson, RD Smith, FE Leach, III, JH Futrell, and L Pasa-Tolic. 2012. "A Conceptual Approach for FT-ICR cell Harmonization Utilizing External Shim Electrodes ." International Journal of Mass Spectrometry 325-327:45-50.  doi:10.1016/j.ijms.2012.06.027

Tolmachev AV, EW Robinson, S Wu, RD Smith, JH Futrell, and L Pasa-Tolic. 2012. "Angular Averaged Profiling of the Radial Electric Field in Compensated FTICR Cells." Journal of the American Society for Mass Spectrometry 23(7):1169-1172.  doi:10.1007/s13361-012-0395-x

Waggoner NW, LS Spreer, BJ Boro, DL DuBois, and ML Helm. 2012. "Group 10 complexes containing phosphinomethylamine ligands: Synthesis, structural analysis and electrochemical studies." Inorganica Chimica Acta 380:14-21.  doi:10.1016/j.ica.2011.07.001

Wang Z, NA Deskins, MA Henderson, and I Lyubinetsky. 2012. "Inhibitive Influence of Oxygen Vacancies for Photoactivity on TiO2(110)." Physical Review Letters 109(26):Article No. 266103.  doi:10.1103/PhysRevLett.109.266103

Watrous JD, PJ Roach, T Alexandrov, BS Heath, JY Yang, R Kersten, M vander Voort, K Pogliano, H Gross, JM Raaijmakers, BS Moore, J Laskin, N Bandeira, and PC Dorrestein. 2012. "Mass Spectral Molecular Networking of Living Microbial Colonies." Proceedings of the National Academy of Sciences of the United States of America 109(26):E1743-E1752.  doi:10.1073/pnas.1203689109

Weiss CJ, AN Groves, MT Mock, WG Dougherty, WS Kassel, ML Helm, DL DuBois, and RM Bullock. 2012. "Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines." Dalton Transactions 41(15):4517-4529.  doi:10.1039/C2DT12224C

White GF, Z Shi, L Shi, A Dohnalkova, JK Fredrickson, JM Zachara, JN Butt, DJ Richardson, and T Clarke. 2012. "Development of a Proteoliposome Model to Probe Transmembrane Electron-Transfer Reactions." Biochemical Society: Transactions 40(6):1257-1260.  doi:10.1042/BST20120116

Wiebenga MH, CH Kim, SJ Schmieg, SH Oh, DB Brown, DH Kim, JH Lee, and CHF Peden. 2012. "Deactivation Mechanisms of Pt/Pd-based Diesel Oxidation Catalysts." Catalysis Today 184(1):197-204.  doi:10.1016/j.cattod.2011.11.014

Wiedner ES, JY Yang, S Chen, S Raugei, WG Dougherty, WS Kassel, ML Helm, RM Bullock, M Rakowski DuBois, and DL DuBois. 2012. "Stabilization of Nickel Complexes with Ni0···H-N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands." Organometallics 31(1):144-156.  doi:10.1021/om200709z

Wiese S, UJ Kilgore, DL DuBois, and RM Bullock. 2012. "[Ni(PMe2NPh2)2](BF4)2 as an Electrocatalyst for H2 Production." ACS Catalysis 2(5):720-727.  doi:10.1021/cs300019h

Windisch CF, Jr, VA Glezakou, PF Martin, BP McGrail, and HT Schaef. 2012. "Raman Spectrum of Supercritical C18O2 and Re-Evaluation of the Fermi Resonance." Physical Chemistry Chemical Physics. PCCP 14(8):2560-2566.  doi:10.1039/c1cp22349f

Woehl TJ, JE Evans, I Arslan, WD Ristenpart, and ND Browning. 2012. "Direct in Situ Determination of the Mechanisms Controlling Nanoparticle Nucleation and Growth." ACS Nano 6(10):8599-8610.  doi:10.1021/nn303371y

Xia Y, B Zhang, J Ye, Q Ge, and Z Zhang. 2012. "Acetone-Assisted Oxygen Vacancy Diffusion on TiO2(110)." Journal of Physical Chemistry Letters 3(20):2970-2974.  doi:10.1021/jz301293y

Xu W, AL Read, PK Koech, D Hu, CM Wang, J Xiao, AB Padmaperuma, GL Graff, J Liu, and J Zhang. 2012. "Factors Affecting the Battery Performance of Anthraquinone-based Organic Cathode Materials." Journal of Materials Chemistry 22(9):4032-4039.  doi:10.1039/c2jm15764k

Yezerets A, CHF Peden, J Szanyi, I Nova, and B Epling. 2012. "Preface: Special Issue on Catalytic Control of Lean-Burn Engine Exhaust Emissions." Catalysis Today 184(1):1.  doi:10.1016/j.cattod.2012.02.011

Zachara JM, BN Bjornstad, JN Christensen, MS Conrad, JK Fredrickson, MD Freshley, R Haggerty, GE Hammond, DB Kent, A Konopka, PC Lichtner, C Liu, JP McKinley, CJ Murray, ML Rockhold, Y Rubin, VR Vermeul, RJ Versteeg, and C Zheng. 2012. Multi-Scale Mass Transfer Processes Controlling Natural Attenuation and Engineered Remediation: An IFRC Focused on Hanford’s 300 Area Uranium Plume January 2011 to January 2012PNNL-21169, Pacific Northwest National Laboratory, Richland, WA. 

Zaveri RA, WJ Shaw, DJ Cziczo, B Schmid, R Ferrare, ML Alexander, M Alexandrov, RJ Alvarez, WP Arnott, D Atkinson, S Baidar, RM Banta, JC Barnard, J Beranek, LK Berg, FJ Brechtel, WA Brewer, JF Cahill, B Cairns, CD Cappa, D Chand, S China, JM Comstock, MK Dubey, RC Easter, Jr, MH Erickson, JD Fast, C Floerchinger, BA Flowers, E Fortner, JS Gaffney, MK Gilles, K Gorkowski, WI Gustafson, Jr, MS Gyawali, J Hair, M Hardesty, JW Harworth, SC Herndon, N Hiranuma, CA Hostetler, JM Hubbe, JT Jayne, H Jeong, BT Jobson, EI Kassianov, LI Kleinman, CD Kluzek, B Knighton, KR Kolesar, C Kuang, A Kubatova, AO Langford, A Laskin, NS Laulainen, RD Marchbanks, C Mazzoleni, F Mei, RC Moffet, DA Nelson, M Obland, H Oetjen, TB Onasch, I Ortega, M Ottaviani, MS Pekour, KA Prather, JG Radney, R Rogers, SP Sandberg, A Sedlacek, C Senff, G Senum, A Setyan, JE Shilling, MKB Shrivastava, C Song, SR Springston, R Subramanian, K Suski, JM Tomlinson, RM Volkamer, HA Wallace, J Wang, AM Weickmann, DR Worsnop, XY Yu, A Zelenyuk, and Q Zhang. 2012. "Overview of the 2010 Carbonaceous Aerosols and Radiative Effects Study (CARES)." Atmospheric Chemistry and Physics 12(16):7647-7687.  doi:10.5194/acp-12-7647-2012

Zhang Y, T Autrey, and CM Wolverton. 2012. "First-principles Prediction of Intermediate Products in the Decomposition of Metal Amidoboranes." Journal of Physical Chemistry C 116(51):26728-26734.  doi:10.1021/jp3106293

Zhang Z, Y Yoon, X Lin, DP Acharya, BD Kay, RJ Rousseau, and Z Dohnalek. 2012. "OH Group Dynamics of 1, 3-propanediol on TiO2(110)." Journal of Physical Chemistry Letters 3(22):3257-3263.  doi:10.1021/jz301412m

Zhao C, DM Camaioni, and JA Lercher. 2012. "Selective catalytic hydroalkylation and deoxygenation of substituted phenols to bicycloalkanes." Journal of Catalysis 288:92-103.  doi:10.1016/j.jcat.2012.01.005


Alnajjar MS, D Quigley, M Kuntamukkula, F Simmons, D Freshwater, and S Bigger. 2011. "Methods for the Safe Storage, Handling, and Disposal of Pyrophoric Liquids and Solids in the Laboratory." Journal of Chemical Health & Safety 18(1):5-10.  doi:10.1016/j.jchas.2010.03.001

Bowden ME, and T Autrey. 2011. "Characterization and Mechanistic Studies of the Dehydrogenation of NHxBHx Materials." Current Opinion in Solid State and Materials Science 15(2):73-79.  doi:10.1016/j.cossms.2011.01.005

Bullock RM. 2011. "A Mercurial Route to a Cobalt Dihydrogen Complex." Angewandte Chemie International Edition 50(18):4050-4052.  doi:10.1002/anie.201006731

DuBois DL, and RM Bullock. 2011. "Molecular Electrocatalysts for the Oxidation of Hydrogen and the Production of Hydrogen - The Role of Pendant Amines as Proton Relays." European Journal of Inorganic Chemistry 2011(7):1017-1027.  doi:10.1002/ejic.201001081

Ginovska-Pangovska B, DM Camaioni, and M Dupuis. 2011. "About the Barriers to Reaction of CCl4 with HFeOH and FeCl2." Journal of Physical Chemistry A 115(31):8713-8720.  doi:10.1021/jp2019928

Glezakou VA, and WA De Jong. 2011. "Cluster-Models for Uranyl(VI) Adsorption on alpha-Alumina." Journal of Physical Chemistry A 115(7):1257-1263. 

Henderson MA, and MD Robbins. 2011. "Methylene Bromide Chemistry and Photochemistry on Rutile TiO2(110)." Surface Science 605(19-20):1834-1841.  doi:10.1016/j.susc.2011.06.020

Henderson MA. 2011. "A Surface Science Perspective on TiO2 Photocatalysis." Surface Science Reports 66(6-7):185-297.  doi:10.1016/j.surfrep.2011.01.001

Henderson MA. 2011. "Surface Chemistry of Trimethyl Phosphate on a-Fe2O3." Journal of Physical Chemistry C 115(47):23527-23534. 

Hu JZ, JH Kwak, Y Wang, MY Hu, RVF Turcu, and CHF Peden. 2011. "Characterizing Surface Acidic Sites in Mesoporous-Silica-Supported Tungsten Oxide Catalysts Using Solid State NMR and Quantum Chemistry Calculations." Journal of Physical Chemistry C 115(47):23354-23362.  doi:10.1021/jp203813f

Idupulapati NB, R Devanathan, and M Dupuis. 2011. "Atomistic Simulations of Perfluoro Phosphonic and Phosphinic Acid Membranes and Comparisons to Nafion." Journal of Physical Chemistry B 115(12):2959-2969. 

Idupulapati NB, R Devanathan, and M Dupuis. 2011. "Molecular Structure and Transport Dynamics in Perfluoro Sulfonyl Imide Membranes ." Journal of Physics. Condensed Matter 23(23):Article No. 234106.  doi:10.1088/0953-8984/23/23/234106

Jain A, S Lense, JC Linehan, S Raugei, HM Cho, DL DuBois, and WJ Shaw. 2011. "Incorporating Peptides in the Outer Coordination Sphere of Bio-inspired Electrocatalysts for Hydrogen Production ." Inorganic Chemistry 50(9):4073-4085.  doi:10.1021/ic1025872

Johnson GE, CM Wang, TA Priest, and J Laskin. 2011. "Monodisperse Au11 Clusters Prepared by Soft Landing of Mass Selected Ions." Analytical Chemistry 83(21):8069-8072.  doi:10.1021/ac202520p

Johnson GE, O Hadjar, and J Laskin. 2011. "Characterization of the Ion Beam Focusing in a Mass Spectrometer using an IonCCD™ Detector." Journal of the American Society for Mass Spectrometry 22(8):1388-1394.  doi:10.1007/s13361-011-0154-4

Johnson GE, Q Hu, and J Laskin. 2011. "Soft Landing of Complex Molecules on Surfaces." Annual Review of Analytical Chemistry 4(1):83-104.  doi:10.1146/annurev-anchem-061010-114028

Kathmann SM, IFW Kuo, CJ Mundy, and GK Schenter. 2011. "Understanding the Surface Potential of Water." Journal of Physical Chemistry B 115(15):4369-4377.  doi:10.1021/jp1116036

Kim DH, JH Lee, CHF Peden, K Howden, CH Kim, SH Oh, SJ Schmieg, and MH Wiebenga. 2011. Final Report of a CRADA Between Pacific Northwest National Laboratory and the General Motors Company (CRADA No. PNNL/271): “Degradation Mechanisms of Urea Selective Catalytic Reduction Technology”PNNL-20998, Pacific Northwest National Laboratory, Richland, WA. 

Laskin J, and Z Yang. 2011. "Energetics and Dynamics of Dissociation of Deprotonated Peptides: Fragmentation of Angiotensin Analogs." International Journal of Mass Spectrometry 308(2-3):275-280.  doi:10.1016/j.ijms.2011.07.003

Laskin J, Z Yang, and AS Woods. 2011. "Competition between Covalent and Noncovalent Bond Cleavages in Dissociation of Phosphopeptide-Amine Complexes." Physical Chemistry Chemical Physics. PCCP 13(15):6936-6946.  doi:10.1039/C1CP00029B

Li Z, RS Smith, BD Kay, and Z Dohnalek. 2011. "Determination of Absolute Coverages for Small Aliphatic Alcohols on TiO2(110)." Journal of Physical Chemistry C 115(45):22534-22539.  doi:10.1021/jp208228f

Matthiesen J, RS Smith, and BD Kay. 2011. "Mixing it up - Measuring diffusion in supercooled liquid solutions of methanol and ethanol at temperatures near the glass transition." The Journal of Physical Chemistry Letters 2(6):557-561.  doi:10.1021/jz2000744

May RA, RS Smith, and BD Kay. 2011. "Probing the Interaction of Amorphous Solid Water on a Hydrophobic Surface: Dewetting and Crystallization Kinetics of ASW on Carbon Tetrachloride." Physical Chemistry Chemical Physics. PCCP 13(44):19848-19855.  doi:10.1039/C1CP21855G

Mudiyanselage K, CW Yi, and J Szanyi. 2011. "Reactions of NO2 with BaO/Pt(111) Model Catalysts: The Effects of BaO Film Thickness and NO2 Pressure on the Formation of Ba(NOx)2 Species." Physical Chemistry Chemical Physics. PCCP 13(23):11016-11026. 

Mudiyanselage K, JF Weaver, and J Szanyi. 2011. "Catalytic decomposition of Ba(NO3)2 on Pt(111) ." Journal of Physical Chemistry C 115(13):5903-5909. 

Murdachaew G, CJ Mundy, GK Schenter, T Laino, and J Hutter. 2011. "Semiempirical Self-Consistent Polarization description of bulk water, the liquid-vapor interface, and cubic ice." Journal of Physical Chemistry A 115(23):6046-6053. 

Orr G, WB Chrisler, KJ Cassens, R Tan, BJ Tarasevich, LM Markillie, RC Zangar, and BD Thrall. 2011. "Cellular Recognition and Trafficking of Amorphous Silica Nanoparticles by Macrophage Scavenger Receptor A." Nanotoxicology 5(3):296-311.  doi:10.3109/17435390.2010.513836

Peppernick SJ, AG Joly, KM Beck, and WP Hess. 2011. "Plasmonic Field Enhancement of Individual Nanoparticles by Correlated Scanning and Photoemission Electron Microscopy." Journal of Chemical Physics 134(3):034507-1/7.  doi:10.1063/1.3543714

Petrik NG, and GA Kimmel. 2011. "Electron- and hole-mediated reactions in UV -irradiated O2 adsorbed on reduced rutile TiO2(110)." Journal of Physical Chemistry C 115(1):152-164.  doi:10.1021/jp108909p

Petrik NG, and GA Kimmel. 2011. "Oxygen Photochemistry on TiO2(110): Recyclable, Photoactive Oxygen Produced by Annealing Adsorbed O2." The Journal of Physical Chemistry Letters 2(21):2790-2796.  doi:10.1021/jz201225c

Roach PJ, J Laskin, and A Laskin. 2011. "Higher-Order Mass Defect Analysis for Mass Spectra of Complex Organic Mixtures." Analytical Chemistry 83(12):4924-4929.  doi:10.1021/ac200654j

Shang J, C Liu, Z Wang, and JM Zachara. 2011. "Effect of Grain Size on Uranium(VI) Surface Complexation Kinetics and Adsorption Additivity." Environmental Science & Technology 45(14):6025-6031.  doi:10.1021/es200920k

Shen M, and MA Henderson. 2011. "Identification of the Active Species in Photochemical Hole Scavenging Reactions of Methanol on TiO2." The Journal of Physical Chemistry Letters 2(21):2707-2710.  doi:10.1021/jz201242k

Shen M, and MA Henderson. 2011. "Impact of Solvent on Photocatalytic Mechanisms: Reactions of Photodesorption Products with Ice Overlayers on the TiO2(110) Surface." Journal of Physical Chemistry C 115(13):5886-5893. 

Shen M, and MA Henderson. 2011. "Site Competition During Coadsorption of Acetone with Methanol and Water on TiO2(110)." Langmuir 27(15):9430-9438.  doi:10.1021/la2016726

Sun J, K Zhu, F Gao, CM Wang, J Liu, CHF Peden, and Y Wang. 2011. "Direct Conversion of Bio-ethanol to Isobutene on Nanosized ZnxZryOz Mixed Oxides with Balanced Acid-Base Sites." Journal of the American Chemical Society 133(29):11096-11099.  doi:10.1021/ja204235v

Wang CM, TC Kaspar, V Shutthanandan, AG Joly, and RJ Kurtz. 2011. "Structure of Cr Film Epitaxially Grown on MgO (001)." Acta Materialia 59(11):4274-4282.  doi:10.1016/j.actamat.2011.03.051

Yoo S, and SS Xantheas. 2011. "Communication: The Effect of Dispersion Corrections on the Melting Temperature of Liquid Water." Journal of Chemical Physics 134(12):Article No. 121105.  doi:10.1063/1.3573375

Yoo S, and SS Xantheas. 2011. "The role of hydrophobic surfaces in altering water mediated peptide-petide interactions in an aqueous environment." Journal of Physical Chemistry A 115(23):6088-6092.  doi:10.1021/jp1107137

Lins RD, R Devanathan, and M Dupuis. 2011. "Modeling the Nanophase Structural Dynamics of Phenylated Sulfonated Poly Ether Ether Ketone Ketone (Ph-SPEEKK) Membranes as a Function of Hydration." Journal of Physical Chemistry B 115(8):1817-1824 .  doi:10.1021/jp110331m

Sushko PV, AL Shluger, AG Joly, KM Beck, and WP Hess. 2011. "Exciton-driven highly hyperthermal O-atom desorption from nanostructured CaO." Journal of Physical Chemistry C 115(3):692-699.  doi:10.1021/jp1078423

Wang XB, and SS Xantheas. 2011. "Photodetachment of Isolated Bicarbonate Anion: Electron Binding Energy of HCO3-." The Journal of Physical Chemistry Letters 2(10):1204-1210.  doi:10.1021/jz200327f

Andersen A, SM Kathmann, MA Lilga, KO Albrecht, RT Hallen, and D Mei. 2011. "Adsorption of Potassium on the MoS2(100) Surface: A First-Principles Investigation." Journal of Physical Chemistry C 115(18):9025-9040.  doi:10.1021/jp110069r

Appel AM, DH Pool, MJ O'Hagan, WJ Shaw, JY Yang, M Rakowski DuBois, DL DuBois, and RM Bullock. 2011. "[Ni(PPh2NBn2)2(CH3CN)]2+ as an Electrocatalyst for H2 Production: Dependence on Acid Strength and Isomer Distribution." ACS Catalysis 1(7):777-785.  doi:10.1021/cs2000939

Atta-Fynn R, EJ Bylaska, GK Schenter, and WA De Jong. 2011. "Hydration Shell Structure and Dynamics of Curium(III) in Aqueous Solution: First Principles and Empirical Studies." Journal of Physical Chemistry A 115(18):4665-4677.  doi:10.1021/jp201043f

Autrey T, ME Bowden, and AJ Karkamkar. 2011. "Control of hydrogen release and uptake in amine borane molecular complexes: Thermodynamics of ammonia borane, ammonium borohydride, and the diammoniate of diborane." Faraday Discussions 151(0):157-169.  doi:10.1039/C0FD00015A

Ayotte P, P Marchand, JL Daschbach, RS Smith, and BD Kay. 2011. "HCI Adsorption and Ionization on Amorphous and Crystalline H2O Films below 50 K." Journal of Physical Chemistry A 115(23):6002-6014. 

Baer MD, CJ Mundy, MJ McGrath, IFW Kuo, JI Siepmann, and DJ Tobias. 2011. "Re-Examining the Properties of the Aqueous Vapor-Liquid Interface Using Dispersion Corrected Density Functional Theory." Journal of Chemical Physics 135(12):Article No. 124712.  doi:10.1063/1.3633239

Baer MD, TV Pham, JL Fulton, GK Schenter, M Balasubramanian, and CJ Mundy. 2011. "Is Iodate a Strongly Hydrated Cation?" The Journal of Physical Chemistry Letters 2(20):2650-2654.  doi:10.1021/jz2011435

Baer MD, and CJ Mundy. 2011. "Toward an Understanding of the Speci?c Ion Effect using Density Functional Theory." The Journal of Physical Chemistry Letters 2(9):1088-1093.  doi:10.1021/jz200333b

Bateman AP, S Nizkorodov, J Laskin, and A Laskin. 2011. "Photolytic processing of secondary organic aerosols dissolved in cloud droplets." Physical Chemistry Chemical Physics. PCCP 13(26):12199-12212.  doi:10.1039/c1cp20526a

Bayram E, JC Linehan, JL Fulton, JA Roberts, N Szymczak, TD Smurthwaite, S Ozkar, M Balasubramanian, and RG Finke. 2011. "Is It Homogeneous or Heterogeneous Catalysis Derived from [RhCp*Cl2]2? In Operando-XAFS, Kinetic and Crucial Kinetic Poisoning Evidence for Subnanometer Rh4 Cluster-Based Benzene Hydrogenation Catalysis." Journal of the American Chemical Society 133(46):18889-18902.  doi:10.1021/ja2073438

Bernacki BE, NC Anheier, Jr, A Mendoza, BG Fritz, and TJ Johnson. 2011. "Visible/Near-Infrared Hyperspectral Sensing of Solids under Controlled Environmental Conditions." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XII, April 26, 2011, Orlando, Florida. Proceedings of the SPIE, vol. 8018, ed. AW Fountain III and PJ Garnder, p. Article No. 80180K.  SPIE , Bellingham, WA.  doi:10.1117/12.884031

Burling I, RJ Yokelson, S Akagi, S Urbanski, CE Wold, DWT Griffith, TJ Johnson, J Reardon, and D Weise. 2011. "Airborne and ground-based measurements of the trace gases and particles emitted from prescribed fires in the United States ." Atmospheric Chemistry and Physics 11(23):12197-12216.  doi:10.5194/acp-11-12197-2011

Campbell CT, AK Datye, GA Henkelman, RF Lobo, WF Schneider, LD Spicer, WT Tysoe, JM Vohs, DR Baer, DW Hoyt, S Thevuthasan, KT Mueller, CM Wang, NM Washton, I Lyubinetsky, RG Teller, A Andersen, N Govind, K Kowalski, BC Kabius, H Wang, AA Campbell, WA Shelton, EJ Bylaska, CHF Peden, Y Wang, DL King, MA Henderson, RJ Rousseau, J Szanyi, Z Dohnalek, D Mei, BC Garrett, D Ray, JH Futrell, J Laskin, DL DuBois, LR Kuprat, and C Plata. 2011. EMSL and Institute for Integrated Catalysis (IIC) Catalysis WorkshopPNNL-20426, Pacific Northwest National Laboratory, Richland, WA. 

Chang-Graham AL, LT Profeta, TJ Johnson, RJ Yokelson, A Laskin, and J Laskin. 2011. "Case Study of Water-Soluble Metal Containing Organic Constituents of Biomass Burning Aerosol." Environmental Science & Technology 45(4):1257-1263.  doi:10.1021/es103010j

Chen S, RJ Rousseau, S Raugei, M Dupuis, DL DuBois, and RM Bullock. 2011. "Comprehensive Thermodynamics of Nickel Hydride Bis(Diphosphine) Complexes: A Predictive Model through Computations." Organometallics 30(22):6108-6118.  doi:10.1021/om200645x

Chong M, AJ Karkamkar, T Autrey, S Orimo, S Jalisatgi, and CM Jensen. 2011. "Reversible Dehydrogenation of Magnesium Borohydride to Magnesium Triborane in the Solid State Under Moderate Conditions." Chemical Communications 47(4):1330-1332.  doi:10.1039/C0CC03461D

Chu IK, and J Laskin. 2011. "Review: Formation of Peptide Radical Ions Through Dissociative Electron Transfer in Ternary Metal-Ligand-Peptide Complexes." European Journal of Mass Spectrometry 17(6):543-556.  doi:10.1255/ejms.1156

Clarke TA, M Edwards, AJ Gates, A Hall, G White, J Bradley, CL Reardon, L Shi, AS Beliaev, MJ Marshall, Z Wang, N Watmough, JK Fredrickson, JM Zachara, JN Butt, and DJ Richardson. 2011. "Structure of a Bacterial Cell Surface Decaheme Electron Conduit." Proceedings of the National Academy of Sciences of the United States of America 108(23):9384-9389.  doi:10.1073/pnas.1017200108

Cowin JP, X Yang, XY Yu, and MJ Iedema. 2011. "Theoretical analyses of aerosol aging on a substrate without wall-effects by a cross-flow." Open Atmospheric Science Journal 5:106-113. 

Deskins NA, RJ Rousseau, and M Dupuis. 2011. "The Distribution of Ti3+ Surface Sites in Reduced TiO2." Journal of Physical Chemistry C 115(15):7562-7572. 

Devarakonda MN, RG Tonkyn, DN Tran, JH Lee, and DR Herling. 2011. "Modeling Species Inhibition of NO Oxidation in Urea-SCR Catalysts for Diesel Engine NOx Control." Journal of Engineering for Gas Turbines and Power. 133(9):Article No. 092805. 

Du Y, DJ Kim, T Varga, Z Wang, J Szanyi, and I Lyubinetsky. 2011. "Formation of single-phase BaO nanoclusters." Thin Solid Films 519(16):5335-5338.  doi:10.1016/j.tsf.2011.02.032

Dupuis M, S Chen, S Raugei, DL DuBois, and RM Bullock. 2011. "Comment on 'New Insights in the Electrocatalytic Proton Reduction and Hydrogen Oxidation by Bioinspired Catalysts: A DFT Investigation'." Journal of Physical Chemistry A 115(18):4861-4865.  doi:10.1021/jp111479z

Earle M, PS Liu, JW Strapp, A Zelenyuk, D Imre, G McFarquhar, NC Shantz, and WR Leaitch. 2011. "Factors influencing the microphysics and radiative properties of liquid-dominated Arctic clouds: insight from observations of aerosol and clouds during ISDAC." Journal of Geophysical Research. D. (Atmospheres) 116:D00T09.  doi:10.1029/2011JD015887

Farron C, N Matthias, DE Foster, M Andrie, R Krieger, P Najt, K Narayanaswamy, A Solomon, and A Zelenyuk. 2011. "Particulate Characteristics for Varying Engine Operation in a Gasoline Spark Ignited, Direct Injection Engine." In SAE 2011 World COngress & Exhibition, April 12-14, 2011, Detroit, Michigan, no. Technical Paper No. 2011-01-0019, SAE International, Warrendale, PA.  doi:10.4271/2011-01-1220

Feibelman PJ, GA Kimmel, RS Smith, NG Petrik, T Zubkov, and BD Kay. 2011. "A unique vibrational signature of rotated water monolayers on Pt(111): predicted and observed." Journal of Chemical Physics 134(20):Article No. 204702.  doi:10.1063/1.3591966

Felmy AR, ES Ilton, KM Rosso, and JM Zachara. 2011. "Interfacial Reactivity of Radionuclides: Emerging Paradigms from Molecular Level Observations." Mineralogical Magazine 75(4):2379-2391. 

Flaud JM, WJ Lafferty, V Malathy Devi, RL Sams, and DC Benner. 2011. "Absolute Line Intensities and Self-Broadened Half-Width Coefficients in the Ethylene-1-(13)C Bands in the 700-1190 cm(-1) Region ." Journal of Molecular Spectroscopy 267(1-2):3-12.  doi:10.1016/j.jms.2011.01.002

Fleming DG, DJ Arseneau, O Sukhorukov, JH Brewer, SL Mielke, DG Truhlar, GC Schatz, BC Garrett, and KA Peterson. 2011. "Kinetics of the Reaction of the Heaviest Hydrogen Atom with H2, the 4Heµ + H2 -> 4Heµ? + H Reaction: Experiments, Accurate Quantal Calculations, and Variational Transition State Theory, including Kinetic Isotope Effects for a Factor of 36.1 in Isotopic Mass." Journal of Chemical Physics 135(18):Article No: 184310.  doi:10.1063/1.3657440

Fleming DG, DJ Arseneau, O Sukhorukov, JH Brewer, SL Mielke, GC Schatz, BC Garrett, KA Peterson, and DG Truhlar. 2011. "Kinetic Isotope Effects for the Reactions of Muonic Helium and Muonium with H2." Science 331(6016 ):448-450.  doi:10.1126/science.1199421

Fredricksen CJ, DR Panjwani, JP Arnold, PN Figueiredo, FK Rezaie, JE Colwell, K Baillie, SJ Peppernick, AG Joly, KM Beck, WP Hess, and RE Peale. 2011. "Plasmonic enhancement of thin-film solar cells using gold-black coatings." In Next Generation (Nano) Photonic and Cell Tehcnologies for Solar Energy Conversion II, August 21, 2011, San Diego, California. Proceedings of the SPIE, vol. 8111, ed. L Tsakalakos, p. Article No. 811106.  SPIE, Bellingham, WA.  doi:10.1117/12.893620

Friedman BJ, GR Kulkarni, J Beranek, A Zelenyuk, JA Thornton, and DJ Cziczo. 2011. "Ice Nucleation and Droplet Formation by Bare and Coated Black Carbon Particles." Journal of Geophysical Research. D. (Atmospheres) 116:Article No. D17203.  doi:10.1029/2011jd015999

Friedman BJ, GR Kulkarni, J Beranek, A Zelenyuk, JA Thornton, and DJ Cziczo. 2011. "Ice Nucleation and Droplet Formation by Bare and Coated Soot Particles." Journal of Geophysical Research. D. (Atmospheres) 116:Article No. D17203.  doi:10.1029/2011JD015999

Galan BR, J Schoffel, JC Linehan, C Seu, AM Appel, JA Roberts, ML Helm, UJ Kilgore, JY Yang, DL DuBois, and C Kubiak. 2011. "Electrocatalytic Oxidation of Formate by [Ni(PR2NR`2)2(CH3CN)]2+ Complexes." Journal of the American Chemical Society 113(35):12767-12779.  doi:10.1021/ja204489e

Goss LM, WR Hess, TA Blake, and RL Sams. 2011. "The High-Resolution, Jet-cooled Infrared Spectrum of Pentafluoroethane." Journal of Molecular Spectroscopy 265(2):81-85.  doi:10.1016/j.jms.2010.11.002

Greskowiak J, MB Hay, H Prommer, C Liu, V Post, R Ma, JA Davis, C Zheng, and JM Zachara. 2011. "Simulating adsorption of U(VI) under transient groundwater flow and hydrochemistry - Physical versus non-equilibrium model." Water Resources Research 47:Article No. W08501.  doi:10.1029/2010WR010118

Hadjar O, GE Johnson, J Laskin, G Kibelka, SM Shill, K Kuhn, C Cameron, and S Kassan. 2011. "IonCCD™ for direct position-sensitive charged-particle detection: from electrons and keV ions to hyperthermal biomolecular ions." Journal of the American Society for Mass Spectrometry 22(4):612-623.  doi:10.1007/s13361-010-0067-7

Hay MB, DL Stoliker, JA Davis, and JM Zachara. 2011. "Characterization of the intragranular water regime within subsurface sediments: Pore volume, surface area, and mass transfer limitations." Water Resources Research 47:Article No. W10531.  doi:10.1029/2010WR010303

Helm ML, MP Stewart, II, RM Bullock, M Rakowski DuBois, and DL DuBois. 2011. "A Synthetic Nickel Electrocatalyst With a Turnover Frequency Above 100,000 s-1 for H2 Production." Science 333(6044):863-866.  doi:10.1126/science.1205864

Henderson MA, NA Deskins, RT Zehr, and M Dupuis. 2011. "Generation of Organic Radicals During Photocatalytic Reactions on TiO2." Journal of Catalysis 279(1):205-212. 

Henderson MA, and KM Rosso. 2011. "Oxidation of H2S by coadsorbed oxygen on the a-Cr2O3(0001) surface." Surface Science 605(5-6):555-563.  doi:10.1016/j.susc.2010.12.016

Hoyt DW, RVF Turcu, JA Sears, Jr, KM Rosso, SD Burton, JH Kwak, AR Felmy, and JZ Hu. 2011. "IN SITU MAGIC ANGLE SPINNING NMR FOR STUDYING GEOLOGICAL CO(2) SEQUESTRATION ." In 241st National Meeting and Exposition of the American Chemical Society, March 27-31, 2011, Anaheim, California, vol. 241, pp. 245-Fuel.  American Chemical Society, Washington DC. 

Huang H, J Shi, J Laskin, Z Liu, DS McVey, and XS Sun. 2011. "Design of a shear-thinning recoverable peptide hydrogel from native sequences and application for influenza H1N1 vaccine adjuvant." Soft Matter 7(19):8905-8912.  doi:10.1039/C1SM05157A

Jeon JK, H Kim, YK Park, CHF Peden, and DH Kim. 2011. "Regeneration of field-spent activated carbon catalysts for low-temperature selective catalytic reduction of NOx with NH3." Chemical Engineering Journal 174(1):242-248.  doi:10.1016/j.cej.2011.09.011

Josephson GB, RG Tonkyn, JG Frye, BJ Riley, and KG Rappe. 2011. Hybrid Plasma Reactor/Filter for Transportable Collective Protection Systems PNNL-20270, Pacific Northwest National Laboratory, Richland, WA. 

Kaneko S, Y Inokuchi, T Ebata, E Apra, and SS Xantheas. 2011. "Laser Spectroscopic and Theoretical Studies of Encapsulation Complexes of Calix[4]arene." Journal of Physical Chemistry A 115(40):10846-10853.  doi:10.1021/jp204577j

Kilgore UJ, JA Roberts, DH Pool, AM Appel, MP Stewart, II, M Rakowski DuBois, WG Dougherty, WS Kassel, RM Bullock, and DL DuBois. 2011. "[Ni(PPh2NC6H4X2)2]2+ Complexes as Electrocatalysts for H2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates." Journal of the American Chemical Society 133(15):5861-5872.  doi:10.1021/ja109755f

Kilgore UJ, MP Stewart, II, ML Helm, WG Dougherty, WS Kassel, M Rakowski DuBois, DL DuBois, and RM Bullock. 2011. "Studies of a Series of [Ni(PR2NPh2)2(CH3CN)]2+ Complexes as Electrocatalysts for H2 Production: Substituent Variation at the Phosphorus Atom of the P2N2 Ligand." Inorganic Chemistry 50(21):10908-10918. 

Kim BC, J Lee, W Um, J Kim, J Joo, JH Lee, JH Kwak, JH Kim, C Lee, H Lee, RS Addleman, T Hyeon, MB Gu, and J Kim. 2011. "Magnetic mesoporous materials for removal of environmental wastes." Journal of Hazardous Materials 192(3):1140-1147.  doi:10.1016/j.jhazmat.2011.06.022

Kim H, KE Jeong, SY Jeong, YK Park, DH Kim, and JK Jeon. 2011. "Utilization of a By-product Produced from Oxidative Desulfurization Process over Cs-Mesoporous Silica Catalysts." Journal of Nanoscience and Nanotechnology 11(2):1706-1709.  doi:10.1166/jnn.2011.3333

Kunkel BM, YF Su, RG Tonkyn, EG Stephan, AG Joly, JC Birnbaum, KH Jarman, and TJ Johnson. 2011. "Raman Database Considerations for Near-Infrared Systems." In Optics and Photonics for Counterterrorism and Crime Fighting VIII, September 19, 2011, Prague, Czech Republic. Proceedings of the SPIE, vol. 8189, ed. R Zamboni, et al, p. Article No. 818905.  SPIE, Bellingham, WA.  doi:10.1117/12.898368

Kwak JH, RJ Rousseau, D Mei, CHF Peden, and J Szanyi. 2011. "The Origin of Regioselectivity in 2-butanol Dehydration on Solid Acid Catalysts." ChemCatChem 3(10):1557-1561. 

Kwak JH, CHF Peden, and J Szanyi. 2011. "Using a surface-sensitive chemical probe and a bulk structure technique to monitor the ?- to ?-Al2O3 phase transformation." Journal of Physical Chemistry C 115(25):12575-12579.  doi:10.1021/jp203541a

Kwak JH, D Mei, CHF Peden, RJ Rousseau, and J Szanyi. 2011. "(100) facets of ?-Al2O3: the active surfaces for alcohol dehydration reactions." Catalysis Letters 141(5):649-655.  doi:10.1007/s10562-010-0496-8

Kwak JH, JH Lee, DH Kim, XS Li, DN Tran, and CHF Peden. 2011. "Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials." Chapter II.B.13 in 2011 Annual Progress Report: Advanced Combustion Engine Research and Development, vol. DOE-ACE-2011AR, ed. G Singh, pp. 231-237.  Department of Energy: Energy Efficiency & Renewable Energy, Washington DC. 

Kwak JH, JZ Hu, RVF Turcu, KM Rosso, ES Ilton, CM Wang, JA Sears, Jr, MH Engelhard, AR Felmy, and DW Hoyt. 2011. "The Role of H2O in the Carbonation of Forsterite in Supercritical CO2." International Journal of Greenhouse Gas Control 5(4):1081-1092.  doi:10.1016/j.ijggc.2011.05.013

Lebarbier VMC, D Mei, DH Kim, A Andersen, JL Male, JE Holladay, RJ Rousseau, and Y Wang. 2011. "Effects of La2O3 on the mixed higher alcohols synthesis from syngas over Co catalysts: A combined theoretical and experimental study." Journal of Physical Chemistry C 115(35):17440-17451.  doi:10.1021/jp204003q

Levitskaia TG, Y Chen, JL Fulton, and SI Sinkov. 2011. "Neodymium(III) Complexation by Amino-Carbohydrates via a Ligand-Controlled Hydrolysis Mechanism." Chemical Communications 47(28):8160-8162.  doi:10.1039/C1CC11871D

Lewis T, B Winter, AC Stern, MD Baer, CJ Mundy, DJ Tobias, and JC Hemminger. 2011. "Dissociation of strong acid revisited: X-ray photoelectron spectroscopy and molecular dynamics simulations of HNO3 in water." Journal of Physical Chemistry B 115(30):9445-9451.  doi:10.1021/jp205510q

Lewis T, B Winter, AC Stern, MD Baer, CJ Mundy, DJ Tobias, and JC Hemminger. 2011. "Does Nitric Acid Dissociate at the Aqueous Solution Surface?" Journal of Physical Chemistry C 115(43):21183-21190.  doi:10.1021/jp205842w

Li AD, C Zhan, D Hu, W Wan, and J Yao. 2011. "Photoswitchable Nanoprobes Offer Unlimited Brightness in Frequency-Domain Imaging." Journal of the American Chemical Society 133(20):7628-7631.  doi:10.1021/ja1108479

Li Z, Z Zhang, BD Kay, and Z Dohnalek. 2011. "Polymerization of Formaldehyde and Acetaldehyde on Ordered (WO3)3 Films on Pt(111)." Journal of Physical Chemistry C 115(19):9692-9700.  doi:10.1021/jp202169x

Li Z, Z Zhang, YK Kim, RS Smith, F Netzer, BD Kay, RJ Rousseau, and Z Dohnalek. 2011. "Growth of Ordered Ultrathin Tungsten Oxide Films on Pt(111)." Journal of Physical Chemistry C 115(13):5773-5783.  doi:10.1021/jp1108976

Liu C, J Shang, and JM Zachara. 2011. "Multispecies diffusion models: A study of uranyl species diffusion." Water Resources Research 47:W12514.  doi:10.1029/2011WR010575

Liu J, WH Miller, GS Fanourgakis, SS Xantheas, S Imoto, and S Saito. 2011. "Insights in Quantum Dynamical Effects in the Infrared Spectroscopy of Liquid Water from a Semiclassical Study with an ab Initio-Based Flexible and Polarizable Force Field." Journal of Chemical Physics 135(24):244503.  doi:10.1063/1.3670960

Liu W, Y Rao, H Wan, AJ Karkamkar, J Liu, and LQ Wang. 2011. "Bubbling Reactor Technology for Rapid Synthesis of Uniform, Small MFI-Type Zeolite Crystals ." Industrial and Engineering Chemistry Research 50(12):7241-7250.  doi:10.1021/ie102069z

Liu X, S Xie, J Boyle, SA Klein, X Shi, Z Wang, W Lin, SJ Ghan, M Earle, P Liu, and A Zelenyuk. 2011. "Testing Cloud Microphysics Parameterizations in NCAR CAM5 with ISDAC and M-PACE Observations." Journal of Geophysical Research. D. (Atmospheres) 116:Article No: D00T11.  doi:10.1029/2011JD015889

Loring JS, CJ Thompson, Z Wang, AG Joly, DS Sklarew, HT Schaef, ES Ilton, KM Rosso, and AR Felmy. 2011. "In Situ Infrared Spectroscopic Study of Forsterite Carbonation in Wet Supercritical CO2." Environmental Science & Technology 45(14):6204-6210.  doi:10.1021/es201284e

Ma R, C Zheng, MJ Tonkin, and JM Zachara. 2011. "Importance of considering intraborehole flow in solute transport modeling under highly dynamic flow conditions ." Journal of Contaminant Hydrology 123(1-2):11-19.  doi:10.1016/j.jconhyd.2010.12.001

Mangham AN, N Govind, ME Bowden, V Shutthanandan, AG Joly, MA Henderson, and SA Chambers. 2011. "Photochemical Properties, Composition, and Structure in Molecular Beam Epitaxy Grown Fe “Doped” and (Fe,N) Codoped Rutile TiO2(110)." Journal of Physical Chemistry C 115(31):15416-15424.  doi:10.1021/jp203061n

Masica DL, JJ Gray, and WJ Shaw. 2011. "Partial high-resolution structure of phosphorylated and non-phosphorylated leucine-rich amelogenin protein adsorbed to hydroxyapatite." Journal of Physical Chemistry C 115(28):13775-13785.  doi:10.1021/jp202965h

McFarquhar G, SJ Ghan, J Verlinde, A Korolev, JW Strapp, B Schmid, JM Tomlinson, M Wolde, SD Brooks, DJ Cziczo, MK Dubey, PhD, J Fan, CJ Flynn, I Gultepe, JM Hubbe, MK Gilles, A Laskin, P Lawson, WR Leaitch, PS Liu, X Liu, D Lubin, C Mazzoleni, AM Macdonald, RC Moffet, H Morrison, M Ovchinnikov, MD Shupe, DD Turner, S Xie, A Zelenyuk, K Bae, M Freer, and A Glen. 2011. "Indirect and Semi-Direct Aerosol Campaign: The Impact of Arctic Aerosols on Clouds ." Bulletin of the American Meteorological Society 92(2):183 - 201.  doi:10.1175/2010BAMS2935.1

McGrath MJ, IFW Kuo, JN Ghogomu, CJ Mundy, and JI Siepmann. 2011. "Vapor-liquid Coexistence Curves for Methanol and Methane using Dispersion-Corrected Density Functional Theory." Journal of Physical Chemistry B 115(40):11688-11692.  doi:10.1021/jp205072v

Mock MT, RG Potter, MJ O'Hagan, DM Camaioni, WG Dougherty, WS Kassel, and DL DuBois. 2011. "Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds ." Inorganic Chemistry 50(23):11914-11928.  doi:10.1021/ic200857x

Mock MT, S Chen, RJ Rousseau, MJ O'Hagan, WG Dougherty, WS Kassel, DL DuBois, and RM Bullock. 2011. "A Rare Terminal Dinitrogen Complex of Chromium." Chemical Communications 47(44):12212-12214.  doi:10.1039/C1CC15430C

Moran JJ, MK Newburn, ML Alexander, RL Sams, JF Kelly, and HW Kreuzer. 2011. "Laser ablation isotope ratio mass spectrometry for enhanced sensitivity and spatial resolution in stable isotope analysis." Rapid Communications in Mass Spectrometry 25(9):1282-1290.  doi:10.1002/rcm.4985

Neiner D, AJ Karkamkar, M Bowden, YJ Choi, AT Luedtke, JD Holladay, AM Fisher, N Szymczak, and T Autrey. 2011. "Kinetic and Thermodynamic Investigation of Hydrogen Release from Ethane 1,2-di-amineborane." Energy & Environmental Science 4(10):4187-4193.  doi:10.1039/C1EE01884A

Nguyen TB, J Laskin, A Laskin, and S Nizkorodov. 2011. "Nitrogen Containing Organic Compounds and Oligomers in Secondary Organic Aerosol Formed by Photooxidation of Isoprene." Environmental Science & Technology 45(16):6908-6918.  doi:10.1021/es201611n

Nguyen TB, PJ Roach, J Laskin, A Laskin, and S Nizkorodov. 2011. "Effect of Humidity on the Composition of Isoprene Photooxidation Secondary Organic Aerosol." Atmospheric Chemistry and Physics 11(14):6931-3699.  doi:10.5194/acp-11-6931-2011

Nizkorodov S, J Laskin, and A Laskin. 2011. "Molecular Chemistry of Organic Aerosols Through the Application of High Resolution Mass Spectrometry." Physical Chemistry Chemical Physics. PCCP 13(9):3612-3629.  doi:10.1039/c0cp02032j

Nurmi J, V Sarathy, PG Tratnyek, DR Baer, JE Amonette, and AJ Karkamkar. 2011. "Recovery of Iron/Iron Oxide Nanoparticles from Solution: Comparison of Methods and their Effects." Journal of Nanoparticle Research 13(5):1937-1952.  doi:10.1007/s11051-010-9946-x

O'Hagan MJ, WJ Shaw, S Raugei, S Chen, JY Yang, UJ Kilgore, DL DuBois, and RM Bullock. 2011. "Moving Protons with Pendant Amines: Proton Mobility in a Nickel Catalyst for Oxidation of Hydrogen." Journal of the American Chemical Society 133(36):14301-14312.  doi:10.1021/ja201838x

Pan Y, D Mei, C Liu, and Q Ge. 2011. "Hydrogen Adsorption on Ga2O3 Surface: A Combined Experimental and Computational Study." Journal of Physical Chemistry C 115(20):10140-10146.  doi:10.1021/jp2014226

Peng WP, GE Johnson, IC Fortmeyer, P Wang, O Hadjar, RG Cooks, and J Laskin. 2011. "Redox Chemistry in Thin Layers of Organometallic Complexes Prepared Using Ion Soft Landing." Physical Chemistry Chemical Physics. PCCP 13(1):267-275.  doi:10.1039/C0CP01457E

Pierce EM, WJ Shaw, C Plata, and KL Manke. 2011. "Breaking Good." Radwaste Solutions 18(1):42-46. 

Plymale AE, JK Fredrickson, JM Zachara, A Dohnalkova, SM Heald, DA Moore, DW Kennedy, MJ Marshall, CM Wang, CT Resch, and P Nachimuthu. 2011. "Competitive Reduction of Pertechnetate (99TcO4-) by Dissimilatory Metal Reducing Bacteria and Biogenic Fe(II) ." Environmental Science & Technology 45(3):951-957. 

Price JE, KA Coulterpark, T Masiello, JW Nibler, A Weber, AG Maki, and TA Blake. 2011. "High-Resolution Infrared Spectra of Spiropentane, C5H8." Journal of Molecular Spectroscopy 269(1):129-136.  doi:10.1016/j.jms.2011.05.011

Profeta LT, RL Sams, TJ Johnson, and SD Williams. 2011. "Quantitative Infrared Intensity Studies of Vapor-Phase Glyoxal, Methylglyoxal, and 2,3-Butanedione (Diacetyl) with Vibrational Assignments." Journal of Physical Chemistry A 115(35):9886-9900.  doi:10.1021/jp204532x

Roberts JA, DL DuBois, and RM Bullock. 2011. "Experimental and Digital Modeling Studies of the Electrochemical Oxidation of the Metal Anion [CpW(CO)2(IMes)]- and the 17-Electron Metal Radical CpW(CO)2(IMes)·. Kinetics and Thermodynamics of Capture and Release of MeCN by a Metal Radical and a Metal Cation." Organometallics 30(17):4555-4563.  doi:10.1021/om2002816

Roberts JA, AM Appel, DL DuBois, and RM Bullock. 2011. "Comprehensive Thermochemistry of W-H Bonding in the Metal Hydrides CpW(CO)2(IMes)H, [CpW(CO)2(IMes)H]·+, and [CpW(CO)2(IMes)(H)2]+. Influence of an N-Heterocyclic Carbene Ligand on Metal Hydride Bond Energies." Journal of the American Chemical Society 133(37):14604-14613.  doi:10.1021/ja202830w

Roberts JA, JA Franz, EF van der Eide, ED Walter, JL Petersen, DL DuBois, and RM Bullock. 2011. "Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand to Give the Isolable 17-Electron Tungsten Radical, CpW(CO)2(IMes)· ." Journal of the American Chemical Society 133(37):14593-14603.  doi:10.1021/ja202754e

Schneider MD, NB Valentine, and TJ Johnson. 2011. "Infrared Signatures to Discriminate Viability of Autoclaved Bacillus Spores." In Optics and Photonics for Counterterrorism and Crime Fighting VII; Optical Materials in Defence Systems Technology VIII; and Quantum-Physics-based Information Security, September 19, 2011, Prague, Czech Republic. Proceedings of the SPIE, vol. 8189, ed. R Zamboni, et al, p. Article No. 818908.  SPIE, Bellingham, WA.  doi:10.1117/12.897944

Schrom BT, LJ Kangas, B Ginovska, TO Metz, and JH Miller. 2011. "Charge Prediction of Lipid Fragments in Mass Spectrometry." In 10th International Conference on Machine Learning and Applications and Workshops (ICMLA 2011), December 18-21, 2011, Honolulu, Hawaii, vol. 2, pp. 186-188.  IEEE, Piscataway, NJ.  doi:10.1109/ICMLA.2011.45

Shi L, SM Belchik, AE Plymale, SM Heald, A Dohnalkova, K Sybirna, H Bottin, TC Squier, JM Zachara, and JK Fredrickson. 2011. "Purification and Characterization of [NiFe]-Hydrogenase of Shewanella oneidensis MR-1." Applied and Environmental Microbiology 77(16):5584-5590. 

Shi L, SM Belchik, Z Wang, DW Kennedy, A Dohnalkova, MJ Marshall, JM Zachara, and JK Fredrickson. 2011. "Identification and Characterization of UndA-HRCR-6, an Outer Membrane Endecaheme c-Type Cytochrome of Shewanella sp. Strain HRCR-6 ." Applied and Environmental Microbiology 77(15):5521-5523.  doi:10.1128/AEM.00614-11

Small YA, DL DuBois, E Fujita, and JT Muckerman. 2011. "Proton management as a design principle for hydrogenase-inspired catalysts." Energy & Environmental Science 4(11):3008-3020.  doi:10.1039/C1EE01170G

Smith RS, J Matthiesen, JR Knox, and BD Kay. 2011. "Crystallization Kinetics and Excess Free Energy of H2O and D2O Nanoscale Films of Amorphous Solid Water." Journal of Physical Chemistry A 115(23):5908-5917.  doi:10.1021/jp110297q

Song KC, JY Baek, JA Bae, JH Yim, YS Ko, DH Kim, YK Park, and JK Jeon. 2011. "Octene hydroformylation by using rhodium complexes tethered onto selectively functionalized mesoporous silica and in-situ high pressure IR study." Catalysis Today 164(1):561-565. 

Stoliker DL, DB Kent, and JM Zachara. 2011. "Quantifying differences in the impact of variable chemistry on equilibrium uranium(VI) adsorption properties of aquifer sediments." Environmental Science & Technology 45(20):8733-8740.  doi:10.1021/es202677v

Su Y, HM Brown, G Li, XD Zhou, JE Amonette, JL Fulton, DM Camaioni, and ZC Zhang. 2011. "Accelerated Cellulose Depolymerization Catalyzed by Paired Metal Chlorides in Ionic Liquid Solvent." Applied Catalysis. A, General 391(1-2):436-442.  doi:10.1016/j.apcata.2010.09.021

Sun X, CD Wick, and LX Dang. 2011. "Computational study of ion distributions at the air/liquid methanol interface ." Journal of Physical Chemistry A 115(23):5767-5773.  doi:10.1021/jp107563e

Sun X, CD Wick, PK Thallapally, BP McGrail, and LX Dang. 2011. "Computational study of hydrocarbon adsorption in metal-organic framework Ni2(dhtp)." Journal of Physical Chemistry B 115(12):2842-2849.  doi:10.1021/jp1115299

Sun X, CD Wick, PK Thallapally, BP McGrail, and LX Dang. 2011. "Molecular mechanism of hydrocarbons binding to the metal-organic framework." Chemical Physics Letters 501(4-6):455-460.  doi:10.1016/j.cplett.2010.11.070

Sweet LE, CH Henager, Jr, SY Hu, TJ Johnson, DE Meier, SM Peper, and JM Schwantes. 2011. Investigation of Uranium PolymorphsPNNL-20951, Pacific Northwest National Laboratory, Richland, WA. 

Tian Z, AD Li, and D Hu. 2011. "Super-Resolution Fluorescence Nanoscopy Applied to Image Core-Shell Photoswitching Nanoparticles and their Self-Assemblies ." Chemical Communications 47(4):1258-1260.  doi:10.1039/C0CC03217D

Vaden TD, D Imre, J Beranek, and A Zelenyuk. 2011. "Extending the Capabilities of Single Particle Mass Spectrometry: I. Measurements of Aerosol Number Concentration, Size Distribution, and Asphericity." Aerosol Science and Technology 45(1):113-124.  doi:10.1080/02786826.2010.526155

Vaden TD, D Imre, J Beranek, and A Zelenyuk. 2011. "Extending the Capabilities of Single Particle Mass Spectrometry: II. Measurements of Aerosol Particle Density without DMA." Aerosol Science and Technology 45(1):125-135.  doi:10.1080/02786826.2010.526156

Vaden TD, DG Imre, J Beranek, MKB Shrivastava, and A Zelenyuk. 2011. "Evaporation Kinetics and Phase of Laboratory and Ambient Secondary Organic Aerosol." Proceedings of the National Academy of Sciences of the United States of America 108(6):2190-2195.  doi:10.1073/pnas.1013391108

Velarde Ruiz Esparza LA, X Zhang, Z Lu, AG Joly, Z Wang, and H Wang. 2011. "Communication: Spectroscopic phase and lineshapes in high-resolution broadband sum frequency vibrational spectroscopy: Resolving interfacial inhomogeneities of "identical" molecular groups." Journal of Chemical Physics 135(24):Article No. 241102.  doi:10.1063/1.3675629

Wagner M, S Surnev, M Ramsey, G Barcaro, L Sementa, FR Negreiros, A Fortunelli, Z Dohnalek, and FP Netzer. 2011. "Structure and Bonding of Tungsten Oxide Clusters on Nanostructured Cu-O Surfaces." Journal of Physical Chemistry C 115(47):23480-23487.  doi:10.1021/jp208207e

Wang D, M Valiev, and BC Garrett. 2011. "CH2Cl2 and OH- Reaction in Aqueous Solution: A Combined Quantum Mechanical and Molecular Mechanics Study." Journal of Physical Chemistry A 115(8):1380-1384.  doi:10.1021/jp109287r

Wang X, DH Kim, JH Kwak, CM Wang, J Szanyi, and CHF Peden. 2011. "Effect of reductive treatments on Pt behavior and NOx storage in lean NOx trap catalysts." Catalysis Today 175(1):78- 82.  doi:10.1016/j.cattod.2011.03.032

Wang Z, JM Zachara, JF Boily, Y Xia, CT Resch, DA Moore, and C Liu. 2011. "Determining Individual Mineral Contributions To U(VI) Adsorption In A Contaminated Aquifer Sediment: A Fluorescence Spectroscopy Study." Geochimica et Cosmochimica Acta 75(10):2965-2979. 

Wen H, G Hou, W Huang, N Govind, and XB Wang. 2011. "Photoelectron spectroscopy of higher bromine and iodine oxide anions: Electron affinities and electronic structures of BrO2,3 and IO2-4 radicals." Journal of Chemical Physics 135(18):Article No. 184309.  doi:10.1063/1.3658858

Werhahn JC, S Pandelov, S Yoo, SS Xantheas, and H Iglev. 2011. "Dynamics of Confined Water Molecules in Aqueous Salt Hydrates." In Ultrafast Phenomena XVII: Proceedings of the 17th International Conference, July 18-23, 2010, Snowmass, CO, ed. M Chergui, D Jonas, E Riedle, RW Schoenlein and AJ Taylor, pp. 463-465.  Oxford University Press, Oxford, United Kingdom. 

Werhahn JC, S Pandelov, SS Xantheas, and H Iglev. 2011. "Dynamics of Weak, Bifurcated and Strong Hydrogen Bonds in Lithium Nitrate Trihydrate." The Journal of Physical Chemistry Letters 2(13):1633-1638.  doi:10.1021/jz200591v

Whiteside A, SS Xantheas, and MS Gutowski. 2011. "Is Electronegativity a Useful Descriptor for the "Pseudo-Alkali-Metal" NH4?" Chemistry - A European Journal 17(47):13105.  doi:10.1002/chem.201190241

Wick CD, and LX Dang. 2011. "Anion Effects on Interfacial Absorption of Gases in Ionic Liquids. A Molecular Dynamics Study." Journal of Physical Chemistry B 115(21):6964-6970.  doi:10.1021/jp201113c

Woo BK, AG Joly, and W Chen. 2011. "Observation of green emission from Ce3+ doped gadolinium oxide nanoparticles." Journal of Luminescence 131(1):49-53. 

Woo BK, Z Luo, Y Li, SP Singh, AG Joly, M Hossu, Z Liu, and W Chen. 2011. "Luminescence enhancement of CaZnGe2O6:Tb3+ afterglow phosphors synthesized using ZnO nanopowders." Optical Materials 33(8):1283-1290.  doi:10.1016/j.optmat.2011.03.001

Xiao J, JZ Hu, D Wang, D Hu, W Xu, GL Graff, Z Nie, J Liu, and J Zhang. 2011. "Investigation of the Rechargeability of Li-O2 Batteries in Non-aqueous Electrolyte." Journal of Power Sources 196(13):5674-5678. 

Xu W, K Xu, VV Viswanathan, SA Towne, JS Hardy, J Xiao, Z Nie, D Hu, D Wang, and J Zhang. 2011. "Reaction Mechanisms for the Limited Reversibility of Li-O2 Chemistry in Organic Carbonate Electrolytes." Journal of Power Sources 196(22):9631-9639.  doi:10.1016/j.jpowsour.2011.06.099

Xu W, VV Viswanathan, D Wang, SA Towne, J Xiao, Z Nie, D Hu, and J Zhang. 2011. "Investigation on the Charging Process of Li2O2-Based Air Electrodes in Li-O2 Batteries with Organic Carbonate Electrolytes." Journal of Power Sources 196(8):3894-3899. 

Yang JY, RM Bullock, M Rakowski DuBois, and DL DuBois. 2011. "Fast and efficient molecular electrocatalysts for H2 production: Using hydrogenase enzymes as guides." MRS Bulletin 36(1):39-47.  doi:10.1557/mrs.2010.8

Yao M, Y Li, M Hossu, AG Joly, Z Liu, Z Liu, and W Chen. 2011. "Luminescence of Lanthanide-Dimethyl Sulfoxide Compound Solutions." Journal of Physical Chemistry B 115(30):9352-9359.  doi:10.1021/jp202350p

Yin J, R Haggerty, DL Stoliker, DB Kent, JD Istok, J Greskowiak, and JM Zachara. 2011. "Transient groundwater chemistry near a river: Effects on U(VI) transport in laboratory column experiments ." Water Resources Research 47:Article No. W04502.  doi:10.1029/2010WR009369

Zachara JM, BN Bjornstad, JN Christensen, MS Conrad, JK Fredrickson, MD Freshley, R Haggerty, GE Hammond, DB Kent, A Konopka, PC Lichtner, C Liu, JP McKinley, CJ Murray, ML Rockhold, Y Rubin, VR Vermeul, RJ Versteeg, AL Ward, and C Zheng. 2011. Multi-Scale Mass Transfer Processes Controlling Natural Attenuation and Engineered Remediation: An IFRC Focused on Hanford’s 300 Area Uranium Plume January 2010 to January 2011PNNL-20257, Pacific Northwest National Laboratory, Richland, WA. 

Zachara JM, RK Kukkadapu, T Peretyazhko, ME Bowden, CM Wang, DW Kennedy, DA Moore, and BW Arey. 2011. "The Mineralogic Transformation of Ferrihydrite Induced by Heterogeneous Reaction with Bioreduced Anthraquinone Disulfonate (AQDS) and the Role of Phosphate." Geochimica et Cosmochimica Acta 75(21):6330-6349.  doi:10.1016/j.gca.2011.06.030

Zhao Y, Y Yang, CA Mims, CHF Peden, J Li, and D Mei. 2011. "Insight into methanol synthesis from CO2 hydrogenation on Cu(111): Complex reaction network and the effects of H2O." Journal of Catalysis 281(2):199-211.  doi:10.1016/j.jcat.2011.04.012

Zhu K, J Sun, J Liu, LQ Wang, H Wan, JZ Hu, Y Wang, CHF Peden, and Z Nie. 2011. "Solvent Evaporation Assisted Preparation of Oriented Nanocrystalline Mesoporous MFI Zeolites." ACS Catalysis 1(7):682-690.  doi:10.1021/cs200085e


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Bullock RM. 2010. "Molybdenum and Tungsten Catalysts for Hydrogenation, Hydrosilylation and Hydrolysis." Chapter 3 in Catalysis Without Precious Metals, ed. RM Bullock, pp. 51-81.  John Wiley & Sons, Inc., Hoboken, NJ. 

Cho HM, WA De Jong, and CZ Soderquist. 2010. "Probing the Oxygen Environment in UO22+ by Solid-State O-17 Nuclear Magnetic Resonance Spectroscopy and Relativistic Density Functional Calculations." Journal of Chemical Physics 132(8):084501.  doi:10.1063/1.3308499

Cho HM, WA De Jong, AP Sattelberger, F Poineau, and K Czerwinski. 2010. "Comprehensive Solid-State NMR Characterization of Electronic Structure in Ditechnetium Heptoxide ." Journal of the American Chemical Society 132(38):13138-13140. 

Fulton JL, and M Balasubramanian. 2010. "Structure of Hydronium (H3O+)/Chloride (Cl-) Contact Ion Pairs in Aqueous Hydrochloric Acid Solution: A Zundel-like Local Configuration." Journal of the American Chemical Society 132(36):12597-12604.  doi:10.1021/ja1014458

Heldebrant DJ, PK Koech, and CR Yonker. 2010. "A reversible zwitterionic SO2-binding organic liquid." Energy & Environmental Science 3(1):111-113.  doi:10.1039/B916550A

Heldebrant DJ, PK Koech, and CR Yonker. 2010. "A reversible zwitterionic SO2-binding organic liquid." Energy & Environmental Science 3(1):111-113.  doi:10.1039/b916550a

Heldebrant DJ, PK Koech, CR Yonker, JE Rainbolt, and F Zheng. 2010. "Reversible Acid Gas Capture Using CO2-Binding Organic Liquids." In Preprints of Symposia - American Chemical Society Fuel Chemistry Division, vol. 55, no. 1, pp. 81-82.  American Chemical Society, Washington DC. 

Heldebrant DJ, PK Koech, T Ang, C Liang, JE Rainbolt, CR Yonker, and PG Jessop. 2010. "Reversible zwitterionic liquids, the reaction of alkanol guanidines, alkanol amidines, and diamines with CO2 ." Green Chemistry 12(4):713-721.  doi:10.1039/b924790d

Henderson MA. 2010. "Low Temperature Oxidation of Fe2+ Surface Sites on the (2x1) Reconstructed Surface of a-Fe2O3(01(1) over-bar2)." Surface Science 604(13-14):1197-1201. 

Henderson MA. 2010. "Oxygen Plasma Activation of Cr(CO)(6) on a-Fe2O3(0001)." Surface Science 604(17-18):1502-1508. 

Henderson MA. 2010. "Photochemistry of Methyl Bromide on the a-Cr2O3(0001) Surface." Surface Science 604(19-20):1800-1807. 

Hu JZ, JH Kwak, Z Yang, X Wan, and LD Shaw. 2010. "Detailed Investigation of Ion Exchange in Ball Milled LiH+MgB2 System using Ultra-High Field NMR Spectroscopy." Journal of Power Sources 195(11):3645-3648.  doi:10.1016/j.jpowsour.2009.12.033

Idupulapati NB, R Devanathan, and M Dupuis. 2010. "Ab Initio Study of Hydration and Proton Dissociation in Ionomer Membranes ." Journal of Physical Chemistry A 114(25):6904-6912. 

Ilton ES, JM Zachara, DA Moore, JP McKinley, AD Eckberg, CL Cahill, and AR Felmy. 2010. "Dissolution study of Metatorbernite: Thermodynamic Properties and the effect of pH and Phosphate." Environmental Science & Technology 44(19):7521-7526.  doi:10.1021/es101619f

Johnson GE, and J Laskin. 2010. "Preparation of Surface Organometallic Catalysts by Gas-Phase Ligand Stripping and Reactive Landing of Mass-Selected Ions." Chemistry - A European Journal 16(48):14433-14438.  doi:10.1002/chem.201002292

Johnson GE, M Lysonski, and J Laskin. 2010. "In Situ Reactivity and TOF SIMS Analysis of Surfaces Prepared by Soft and Reactive Landing of Mass Selected Ions." Analytical Chemistry 82(13):5718-5727.  doi:10.1021/ac100734g

Johnson TJ, SD Williams, NB Valentine, and YF Su. 2010. "The hydration number n of calcium dipicolinate trihydrate, CaDP center dot nH(2)O, and its effect on the IR spectra of sporulated Bacillus bacteria ." Vibrational Spectroscopy 53(1,Sp.Iss.SI):28-33. 

Laskin J, P Wang, and O Hadjar. 2010. "Soft-Landing of CoIII(salen)+ and MnIII(salen)+ on Self-Assembled Monolayer Surfaces." Journal of Physical Chemistry C 114(12):5305-5311.  doi:10.1021/jp904384q

Laskin J, Z Yang, DC Ng, and IK Chu. 2010. "Fragmentation of alpha-Radical Cations of Arginine-Containing Peptides." Journal of the American Society for Mass Spectrometry 21(4):511-521.  doi:10.1016/j.jasms.2009.12.021

Laskin J, Z Yang, T Song, C Lam, and IK Chu. 2010. "Effect of the Basic Residue on the Energetics, Dynamics and Mechanisms of Gas- Phase Fragmentation of Protonated Peptides." Journal of the American Chemical Society 132(45):16006-16016.  doi:10.1021/ja104438z

Li J, SM Kathmann, HS Hu, GK Schenter, T Autrey, and MS Gutowski. 2010. "Theoretical Investigations on the Formation and Dehydrogenation Reaction Pathways of H(NH2BH2)nH (n=1-4) Oligomers: Importance of Dihydrogen Interactions (DHI)." Inorganic Chemistry 49(17):7710-7720. 

Liu C, L Zhong, and JM Zachara. 2010. "Uranium(VI) Diffusion in Low-Permeability Subsurface Materials." Radiochimica Acta 98(9-11):719-726.  doi:10.1524/ract.2010.1773

Luedtke AT, and T Autrey. 2010. "Hydrogen Release Studies of Alkali Metal Amidoboranes." Inorganic Chemistry 49(8):3905-3910. 

Matthiesen J, RS Smith, and BD Kay. 2010. "Measuring Diffusivity in Supercooled Liquid Nanoscale Films using Inert Gas Permeation: II. Diffusion of AR, KR, Xe, and CH4 through Methanol." Journal of Chemical Physics 133(17):174505-11.  doi:10.1063/1.3497648

Mei D, JH Kwak, J Szanyi, Q Ge, and CHF Peden. 2010. "Catalyst Size and Morphological Effects on the Interaction of NO2 with BaO/?-Al2O3 Materials ." Catalysis Today 151(3-4):304-313.  doi:10.1016/j.cattod.2010.01.005

Mei D, JH Kwak, JZ Hu, SJ Cho, J Szanyi, L Allard, and CHF Peden. 2010. "The Unique Role of Anchoring Penta-coordinated Al3+ Sites in the Sintering of ? Al2O3-supported Pt Catalysts ." The Journal of Physical Chemistry Letters 1:2688-2691.  doi:10.1021/jz101073p

Mudiyanselage K, CW Yi, and J Szanyi. 2010. "Reactions of NO2 with Ba(OH)2 on Pt(111)." Journal of Physical Chemistry C 114(40):16955-16963. 

Murdachaew G, CJ Mundy, and GK Schenter. 2010. "Improving the density functional theory description of water with self-consistent polarization." Journal of Chemical Physics 132(1):, doi:10.1063/1.3385797

Ohsawa T, MA Henderson, and SA Chambers. 2010. "Epitaxial Growth and Orientational Dependence of Surface Photochemistry in CrystallineTiO2 Rutile Films Doped with Nitrogen." Journal of Physical Chemistry C 114(14):6595-6601.  doi:10.1021/jp1002726

Orr G. 2010. "Organelle-Specific Pharmaceutical Nanotechnology: Active Cellular Transport of Submicro- and Nanoscale Particles." Chapter 19 in Organelle-Specific Pharmaceutical Nanotechnology, ed. V Weissig and GG D'Souza, pp. 337-356.  John Wiley & Sons, Hoboken, NJ. 

Petrik NG, and GA Kimmel. 2010. "Off-normal CO2 desorption from the photooxidation of CO on reduced TiO2(110)." The Journal of Physical Chemistry Letters 1(17):2508-2513.  doi:10.1021/jz100884w

Petrik NG, and GA Kimmel. 2010. "Photoinduced Dissociation of O2 on Rutile TiO2(110)." The Journal of Physical Chemistry Letters 1(12):1758-1762.  doi:10.1021/jz100513e

Potter RG, DM Camaioni, M Vasiliu, and DA Dixon. 2010. "Thermochemistry of Lewis Adducts of BH3 and Nucleophilic Substitution of Triethylamine on NH3BH3 in Tetrahydrofuran." Inorganic Chemistry 49(22):10512-10521.  doi:10.1021/ic101481c

Roach PJ, J Laskin, and A Laskin. 2010. "Molecular Characterization of Organic Aerosols Using Nanospray Desorption/Electrospray Ionization-Mass Spectrometry." Analytical Chemistry 82(19):7979-7986.  doi:10.1021/ac101449p

Roach PJ, J Laskin, and A Laskin. 2010. "Nanospray Desorption Electrospray Ionization: an Ambient Method for Liquid-Extraction Surface Sampling in Mass Spectrometry." Analyst 135(9):2233-2236. 

Thallapally PK, CA Fernandez, RK Motkuri, SK Nune, J Liu, and CHF Peden. 2010. "Micro and Mesoporous Metal Organic Frameworks for Catalysis Applications." Dalton Transactions 39(7):1692 - 1694.  doi:10.1039/b921118g

Xantheas SS, and MS Gordon. 2010. "A Tribute to Klaus Ruedenberg." Journal of Physical Chemistry 114(33):8489. 

Yoo S, E Apra, XC Zeng, and SS Xantheas. 2010. "High-Level ab initio electronic structure calculations of Water Clusters (H2O)16 and (H2O)17: a new global minimum for (H2O)16." The Journal of Physical Chemistry Letters 1(20):3122-3127.  doi:10.1021/jz101245s

Yu XY, JP Cowin, NS Laulainen, MJ Iedema, B Lefer, D Anderson, D Pernia, J Flynn, and SC Herndon. 2010. "Radical initiated secondary aerosol formation-Particle measurements during the 2009 TEXAQS." In Proceedings of the 12th Conference on Atmospheric Chemistry as part of the 90th American Meteorological Society Annual Meeting, January 16-21, 2010, Atlanta, GA.  American Meteorological Society, Boston, MA. 

Zehr RT, and MA Henderson. 2010. "Thermal chemistry and photochemistry of hexafluoroacetone on rutile TiO2(110) ." Physical Chemistry Chemical Physics. PCCP 12(28):8084-8091. 

Zelenyuk A, D Imre, M Earle, RC Easter, Jr, A Korolev, WR Leaitch, P Liu, AM Macdonald, M Ovchinnikov, and W Strapp. 2010. "In-Situ Characterization of Cloud Condensation Nuclei, Interstitial, and background Particles using Single Particle Mass Spectrometer, SPLAT II." Analytical Chemistry 82(19):7943-7951.  doi:10.1021/ac1013892

Zelenyuk A, MJ Ezell, V Perraud, SN Johnson, E Bruns, Y Yu, D Imre, ML Alexander, and BJ Finlayson-Pitts. 2010. "Characterization of Organic Coatings on Hygroscopic Salt Particles and their Atmospheric Impacts." Atmospheric Environment 44(9):1209-1218.  doi:10.1016/j.atmosenv.2009.11.047

Boily JF, PL Gassman, T Peretyazhko, J Szanyi, and JM Zachara. 2010. "FTIR Spectral Components of Schwertmannite." Environmental Science & Technology 44(4):1185-1190. 

Anheier NC, Jr, and BA Bushaw. 2010. "Isotope Enrichment Detection by Laser Ablation - Laser Absorption Spectrometry: Automated Environmental Sampling and Laser-Based Analysis for HEU Detection." In Proceedings of the 2nd JAPAN-IAEA Workshop on Advanced Safeguards Technology for the Future Nuclear Fuel Cycle, November 10-13, 2009, Tokai-mura, Japan, vol. INIS-XA--1073, International Atomic Energy Agency, Vienna, Austria. 

Anheier NC, Jr, and BA Bushaw. 2010. "Unattended Environmental Sampling and Laser-based Enrichment Assay for Detection of Undeclared HEU Production in Enrichment Plants." In Proceedings of the Pacific Northwest International Conference on Global Nuclear Security - The Decade Ahead, April 11-16, 2010, Portland, OR.  Institute of Nuclear Materials Management, Deerfield, IL. 

Anheier NC, Jr, and BA Bushaw. 2010. "Unattended Monitoring of HEU Production in Gaseous Centrifuge Enrichment Plants using Automated Aerosol Collection and Laser-based Enrichment Assay." In Proceedings of the 51st Annual Meeting of the Institute of Nuclear Materials Management, July 11-15, 2010, Baltimore, Maryland.  INMM, Deerfield, IL. 

Baer M, CJ Mundy, TM Chang, FM Tao, and LX Dang. 2010. "Interpreting Vibrational Sum-frequency Spectra of Sulfur Dioxide at the Air/Water Interface: A Comprehensive Molecular Dynamics Study." Journal of Physical Chemistry B 114(21):7245-7249.  doi:10.1021/jp100310s

Bakalbassis EG, E Malamidou-Xenikaki, S Spyroudis, and SS Xantheas. 2010. "Dimerization of Indanedioneketene to Spiro-oextanone: A Theoretical Study." Journal of Organic Chemistry 75(16):5499-5504.  doi:10.1021/jo100500u

Bateman AP, S Nizkorodov, J Laskin, and A Laskin. 2010. "High-Resolution Electrospray Ionization Mass Spectrometry Analysis of Water- Soluble Organic Aerosols Collected with a Particle into Liquid Sampler ." Analytical Chemistry 82(19):8010-8016.  doi:10.1021/ac1014386

Beck KM, AG Joly, and WP Hess. 2010. "Effect of Surface Charge on Laser-induced Neutral Atom Desorption." Applied Physics A, Materials Science and Processing 101(1):61-64.  doi:10.1007/s00339-010-5758-1

Bernacki BE, TA Blake, A Mendoza, and TJ Johnson. 2010. "Visible Hyperspectral Imaging for Standoff Detection of Explosives on Surfaces ." In Optics and Photonics for Counterterrorism and Crime Fighting VI and Optical Materials in Defence Systems Technology VII: Proceedings of the SPIE, vol. 7838, ed. C Lewis, D Burgess, R Zamboni, F Kajzar and EM Heckman, p. Paper No. 78380C.  SPIE , Bellingham, WA.  doi:10.1117/12.870739

Bowden ME, DJ Heldebrant, AJ Karkamkar, TE Proffen, GK Schenter, and T Autrey. 2010. "The diammoniate of diborane: Crystal structure and hydrogen release." Chemical Communications 46(45):8564-8566.  doi:10.1039/C0CC03249B

Bruns E, V Perraud, A Zelenyuk, MJ Ezell, SN Johnson, Y Yu, D Imre, BJ Finlayson-Pitts, and ML Alexander. 2010. "Comparison of FTIR and Particle Mass Spectrometry for the Measurement of Paticulate Organic Nitrates." Environmental Science & Technology 44(3):1056-1061.  doi:10.1021/es9029864

Buchko GW, BJ Tarasevich, J Roberts, ML Snead, and WJ Shaw. 2010. "A Solution NMR Investigation into the Murine Amelogenin Splice-Variant LRAP (Leucine-Rich Amelogenin Protein)." Biochimica et Biophysica Acta--Proteins and Proteomics 1804(9):1768-1774. 

Burling I, RJ Yokelson, DWT Griffith, TJ Johnson, P Veres, J Roberts, C Warneke, S Urbanski, J Reardon, D Weise, WM Hao, and J Gouw. 2010. "Laboratory measurements of trace gas emissions from biomass burning of fuel types from the southeastern and southwestern United States." Atmospheric Chemistry and Physics 10(22):11115-11130.  doi:10.5194/acp-10-11115-2010

Cauet E, SA Bogatko, JH Weare, JL Fulton, GK Schenter, and EJ Bylaska. 2010. "Structure and Dynamics of the Hydration Shells of the Zn2+ Ion from ab initio Molecular Dynamics and Combined ab initio and Classical Molecular Dynamics Simulations." Journal of Chemical Physics 132(19):Article 194502.  doi:16248, 16249, 56674

Chang TM, LX Dang, R Devanathan, and M Dupuis. 2010. "Structure and Dynamics of N, N-diethyl-N-methylammonium Triflate Ionic Liquid, Neat and with Water, from Molecular Dynamics Simulations." Journal of Physical Chemistry A 114(48):12764-12774.  doi:10.1021/jp108189z

Chellappa RS, T Autrey, M Somayazulu, VV Struzhkin, and RJ Hemley. 2010. "High-Pressure Hydrogen Interactions with Polyaminoborane and Polyiminoborane ." Chemphyschem 11(1):93-96.  doi:10.1002/cphc.200900829

Chen S, S Raugei, RJ Rousseau, M Dupuis, and RM Bullock. 2010. "Homogeneous Ni catalysts for H2 Oxidation and Production: An Assessment of Theoretical Methods, from Density Functional Theory to Post Hartree-Fock Correlated Wave-Function Theory ." Journal of Physical Chemistry A 114(48):12716-12724.  doi:10.1021/jp106800n

Cheng TY, DJ Szalda, JA Franz, and RM Bullock. 2010. "Structural and Computational Studies of Cp(CO)2(PCy3)MoFBF3, a Complex with a Bound BF4- Ligand." Inorganica Chimica Acta 363(3):581-585.  doi:10.1016/j.ica.2009.02.028

Cheng Y, C Lambert, DH Kim, JH Kwak, SJ Cho, and CHF Peden. 2010. "The Different Impacts of SO2 and SO3 on Cu/Zeolite SCR Catalysts." Catalysis Today 151(3-4):266-270.  doi:10.1016/j.cattod.2010.01.013

Chua YS, G Wu, Z Xiong, AJ Karkamkar, J Guo, M Jian, MW Wong, T Autrey, and P Chen. 2010. "Synthesis, Structure and Dehydrogenation of Magnesium Amidoborane Monoammoniate." Chemical Communications 46(31):5752-5754. 

Craig NC, MC Leyden, MC Moore, AK Patchen, T van den Heuvel, TA Blake, T Masiello, and RL Sams. 2010. "A reevaluation of the assignment of the vibrational fundamentals and the rotational analysis of bands in the high-resolution infrared spectra of trans- and cis- 1,3,5-hexatriene." Journal of Molecular Spectroscopy 262(1):49-60.  doi:10.1016/j.jms.2010.05.002

Daschbach JL, X Sun, PK Thallapally, BP McGrail, and LX Dang. 2010. "Grand Canonical Monte Carlo studies of CO2 and CH4 adsorption in p-tert-butylcalix[4]arene." Journal of Physical Chemistry B 114(17):5764-5768. 

Deskins NA, RJ Rousseau, and M Dupuis. 2010. "Defining the Role of Excess Electrons in the Surface Chemistry of TiO2." Journal of Physical Chemistry C 114(13):5891-5897.  doi:10.1021/jp101155t

Devanathan R, A Venkatnathan, RJ Rousseau, M Dupuis, T Frigato, W Gu, and VH Helms. 2010. "Atomistic Simulation of Water Percolation and Proton Hopping in Nafion Fuel Cell Membrane." Journal of Physical Chemistry B 114(43):13681-13690.  doi:10.1021/jp103398b

Devarakonda MN, RG Tonkyn, and DR Herling. 2010. "Hydrocarbon Effect on a Fe-zeolite Urea-SCR Catalyst: An Experimental and Modeling Study." In Diesel Exhaust Emission Control, SP-2287: SAE 2010 World Congress & Exhibition, April, 2010, Detroit, Michigan, pp. Paper No.: 2010-01-1171.  SAE International, Warrendale, PA.  doi:10.4271/2010-01-1171

Devarakonda MN, RG Tonkyn, DN Tran, JH Lee, and DR Herling. 2010. "MODELING COMPETITIVE ADSORPTION IN UREA-SCR CATALYSTS FOR EFFECTIVE LOW TEMPERATURE NOX CONTROL." In Proceedings of ASME 2010 International Mechanical Engineering Congress and Exposition (IMECE 2010), pp. Paper No. IMECE 2010-39977.  ASME, New York, NY. 

Devarakonda MN, RG Tonkyn, DN Tran, JH Lee, and DR Herling. 2010. "Modeling Species Inhibition of NO oxidation in Urea-SCR Catalysts for Diesel Engine NOx Control." In Proceedings of the ASME 2010 Internal Combustion Engine Division Fall Technical Conference, pp. Paper No. ICEF2010-35054.  American Society of Mechanical Engineers, New York, NY. 

Devi VM, CP Rinsland, DC Benner, RL Sams, and TA Blake. 2010. "Multispectrum analysis of the v9 band of 12C2H6: Positions, intensities, self- and N2-broadened half-width coefficients." Journal of Quantitative Spectroscopy and Radiative Transfer 111(9):1234-1251.  doi:10.1016/j.jqsrt.2009.10.017

Dohnalek Z, I Lyubinetsky, and RJ Rousseau. 2010. "Thermally-Driven Processes on Rutile TiO2(110)-(1x1): A Direct View at the Atomic Scale." Progress in Surface Science 85(5-8):161-205.  doi:10.1016/j.progsurf.2010.03.001

Du Y, NA Deskins, Z Zhang, Z Dohnalek, M Dupuis, and I Lyubinetsky. 2010. "Formation of O Adatom Pairs and Charge Transfer upon O-2 Dissociation on Reduced TiO2(110)." Physical Chemistry Chemical Physics. PCCP 12(24):6337-6344. 

Du Y, NA Deskins, Z Zhang, Z Dohnalek, M Dupuis, and I Lyubinetsky. 2010. "Water Interactions with Terminal Hydroxyls on TiO2 (110)." Journal of Physical Chemistry C 114(40):17080-17084.  doi:10.1021/jp1036876

Ebata T, N Hontama, Y Inokuchi, T Haino, E Apra, and SS Xantheas. 2010. "Encapsulation of Arn complexes by Calix[4]arene: Endo- vs. exo-complexes." Physical Chemistry Chemical Physics. PCCP 12(18):4569-4579.  doi:10.1039/b927441c

Ellis PD, JA Sears, Jr, P Yang, M Dupuis, T Boron, V Pecoraro, T Stich, RD Britt, and AS Lipton. 2010. "Solid-State 55Mn NMR Spectroscopy of bis(µ-oxo)dimanganese(IV) [Mn2O2(salpn)2], a Model for the Oxygen Evolving Complex in Photosystem II." Journal of the American Chemical Society 132(47):16727-16729.  doi:10.1021/ja1054252

Ezell MJ, SN Johnson, Y Yu, V Perraud, E Bruns, ML Alexander, A Zelenyuk, D Dabdub, and BJ Finlayson-Pitts. 2010. "A New Aerosol Flow System for Photochemical and Thermal Studies of Tropospheric Aerosols." Aerosol Science and Technology 44(5):329-338.  doi:10.1080/02786821003639700

Fagan PJ, MH Voges, and RM Bullock. 2010. "Catalytic Ionic Hydrogenation of Ketones by {[Cp*Ru(CO)2]2(? H)}+." Organometallics 29(4):1045-1048.  doi:10.1021/om901005k

Fernandez CA, PK Thallapally, J Liu, and CHF Peden. 2010. "Effect of Produced HCl during the Catalysis on Micro- and Mesoporous MOFs." Crystal Growth & Design 10(9):4118-4122.  doi:10.1021/cg100796e

Flaud JM, WJ Lafferty, RL Sams, and VM Devi. 2010. "High resolution analysis of the ethylene-1-13C spectrum in the 8.4-14.3 um region." Journal of Molecular Spectroscopy 259(1):39-45.  doi:10.1016/j.jms.2009.10.003

Fulton JL, GK Schenter, M Baer, CJ Mundy, LX Dang, and M Balasubramanian. 2010. "Probing the hydration structure of polarizable halides: a multi-edge XAFS and molecular dynamics study of the iodide anion." Journal of Physical Chemistry B 114(40):12926-12937.  doi:10.1021/jp106378p

Futrell JH, and J Laskin. 2010. "Surface Ionization and Soft Landing Techniques in Mass Spectrometry." In Encyclopedia of Spectroscopy and Spectrometry, 2nd Edition, ed. JC Lindon, GE Tranter and DW Koppenaal, pp. 2778-2787.  Elsevier Science & Technology Books, Amsterdam, Netherlands. 

Gallagher NB, JF Kelly, and TA Blake. 2010. "Passive Infrared Hyperspectral Imaging for Standoff Detection of Tetryl Explosive Residue on a Steel Surface." In Proceedings of the 2nd Workshop on Hyperspectral Image and Signal Processing: Evolution in Remote Sensing (WHISPERS), June 14-16, 2010, Reykjavik, Iceland.  IEEE , Piscataway, NJ.  doi:10.1109/WHISPERS.2010.5594839

Glezakou VA, RJ Rousseau, LX Dang, and BP McGrail. 2010. "'Structure, Dynamics and Vibrational Spectrum of Supercritical CO2/H2O Mixtures from Ab Initio Molecular Dynamics as a Function of Water Cluster Formation." Physical Chemistry Chemical Physics. PCCP 12(31):8759-8771.  doi:10.1039/B923306G

Glezakou VA, ST Elbert, SS Xantheas, and K Ruedenberg. 2010. "Analysis of Bonding Patterns in the Valence Isoelectronic series O-3, S-3, SO2 and OS2 in Terms of Oriented Quasi-Atomic Molecular Orbitals ." Journal of Physical Chemistry A 114(33):8923-8931. 

Grate JW, C Zhang, TW Wietsma, MG Warner, NC Anheier, Jr, BE Bernacki, G Orr, and M Oostrom. 2010. "A note on the visualization of wetting film structures and a nonwetting immiscible fluid in a pore network micromodel using a solvatochromic dye ." Water Resources Research 46:W11602.  doi:10.1029/2010WR009419

Greskowiak J, H Prommer, C Liu, V Post, R Ma, C Zheng, and JM Zachara. 2010. "Comparison of parameter sensitivities between a laboratory and field scale model of uranium transport in a dual domain, distributed-rate reactive system." Water Resources Research 46:Article No. W09509.  doi:10.1029/2009WR008781

He T, J Wang, G Wu, HJ Kim, TE Proffen, A Wu, W Li, T Liu, Z Xiong, C Wu, H Chu, J Guo, T Autrey, T Zhang, and P Chen. 2010. "Growth of Crystalline Polyaminoborane through Catalytic Dehydrogenation of Ammonia Borane on FeB Nanoalloy." Chemistry - A European Journal 16(43):12814-12817. 

Henderson MA, CHF Peden, JA Rodriguez, J Szanyi, JT Yates, JR, and F Zaera. 2010. "Preface to the Festschrift in Honor of Professor D. Wayne Goodman." Journal of Physical Chemistry C 114(40):16861-16862.  doi:10.1021/jp105968e

Henderson MA, V Shutthanandan, T Ohsawa, and SA Chambers. 2010. "Structural Environment of Nitrogen in N-doped Rutile TiO2(110)." Chapter 777007 in Solar Hydrogen and Nanotechnology V, Proceedings of SPIE , vol. 7770, ed. H Idress and H Wang.  SPIE , Bellingham, WA.  doi:10.1117/12.862297

Hontama N, Y Inokuchi, T Ebata, C Dedonder-Lardeau, C Jouvet, and SS Xantheas. 2010. "The structure of the Calix[4]arene-(H2O) Cluster: The World’s Smallest Cup of Water." Journal of Physical Chemistry A 114(9):2967-2972. 

Hu D, and G Orr. 2010. "Nanometer Resolution Imaging by SIngle Molecule Switching." Nano Reviews 1:5122.  doi:10.3402/nano.v1i0.5122

Hu Q, P Wang, and J Laskin. 2010. "Effect of the surface on the secondary structure of soft landed peptide ions." Physical Chemistry Chemical Physics. PCCP 12(39):12802-12810.  doi:10.1039/C0CP00825G

Icenhower JP, N Qafoku, JM Zachara, and WJ Martin. 2010. "The Biogeochemistry of Technetium: A review of the behavior of an artificial element in the natural environment." American Journal of Science Vol. 310(8):721-752.  doi:10.2475/08.2010.02

Johnson TJ, LTM Profeta, RL Sams, DWT Griffith, and RL Yokelson. 2010. "An Infrared Spectral Database for Detection of Gases Emitted by Biomass Burning." Vibrational Spectroscopy 53(1):97-102.  doi:10.1016/j.vibspec.2010.02.010

Johnson TJ, TA Blake, RL Sams, and SD Burton. 2010. "Absolute Infrared Cross Sections of Gas-Phase H2O2 Using Fourier Transform Mid-Infrared Spectroscopy ." In Fourier Transform Spectrometry, OSA Technical Digest, April 26-30, 2009, Vancouver, BC, Canada, p. Paper No. FWA6.  Optical Society of America, Washington DC. 

Joly AG, KM Beck, and WP Hess. 2010. "Surface-Specific Laser Matter Interactions and Dynamics." In International Symposium on High Power Laser Ablation, April 18-22, 2010, Santa Fe, NM: AIP Conference Proceedings, vol. 1278, no. 1, ed. C Phipps, pp. 90-97.  American Institute of Physics, Melville, NY.  doi:10.1063/1.3507187

Kim HJ, AJ Karkamkar, T Autrey, P Chupas, and TE Proffen. 2010. "Storing Hydrogen." In APs Science 2009, ANL-10/06, pp. 48-49.  Argonnen National Laboratory, Argonne, IL. 

Kim J, BD Kay, and Z Dohnalek. 2010. "Formaldehyde Polymerization on (WO3)3/TiO2(110) Model Catalyst." Journal of Physical Chemistry C 114(40):17017-17022. 

Kolb CE, RA Cox, JPD Abbatt, M Ammann, EJ Davis, DJ Donaldson, BC Garrett, C George, T Griffiths, DR Hanson, M Kulmala, G McFiggans, U Poschl, I Riipinen, M Rossi, Y Rudich, PE Wagner, PJ Winkler, DR Worsnop, and CD O'Dowd. 2010. "An Overview of Current Issues in the Uptake of Atmospheric Trace Gasses by Aerosols and Clouds." Atmospheric Chemistry and Physics 10(21):10561-10605.  doi:10.5194/acp-10-10561-2010

Kusaka R, Y Inokuchi, SS Xantheas, and T Ebata. 2010. "Structures and Encapsulation Motifs of Functional Molecules probed by Laser Spectroscopic and Theoretical methods." Sensors 10(4):3519-3548.  doi:10.3390/s100403519

Kwak JH, JZ Hu, DW Hoyt, JA Sears, Jr, CM Wang, KM Rosso, and AR Felmy. 2010. "Metal Carbonation of Forsterite in Supercritical CO2 and H2O Using Solid State 29Si, 13C NMR Spectroscop." Journal of Physical Chemistry C 114(9):4126 - 4134.  doi:10.1021/jp1001308

Kwak JH, RG Tonkyn, DH Kim, J Szanyi, and CHF Peden. 2010. "Excellent activity and selectivity of Cu-SSZ-13 in the selective catalytic reduction of NOx with NH3." Journal of Catalysis 275(2):187-190.  doi:10.1016/j.jcat.2010.07.031

Laskin J, A Laskin, PJ Roach, GW Slysz, GA Anderson, S Nizkorodov, DL Bones, and L Nguyen. 2010. "High-Resolution Desorption Electrospray Ionization Mass Spectrometry for Chemical Characterization of Organic Aerosols." Analytical Chemistry 82(5):2048-2058.  doi:10.1021/ac902801f

Li G, D Hu, G Xia, and ZC Zhang. 2010. "Catalyst Structure-Performance Relationship Identified by High-Throughput Operando Method: New Insight for Silica-Supported Vanadium Oxide for Methanol Oxidation." Topics in Catalysis 53(1-2):40-48. 

Li G, DM Camaioni, JE Amonette, ZC Zhang, TJ Johnson, and JL Fulton. 2010. "[CuCln](2-n) Ion-Pair Species in 1-Ethyl-3-Methylimidazolium Chloride Ionic Liquid-Water Mixtures: Ultraviolet-Visible, X-ray Absorbtion Fine Structure, and Density Functional Theory Characterization ." Journal of Physical Chemistry B 114(39):12614-12622.  doi:10.1021/jp106762b

Li Y, Z Sun, L Ma, X Zhang, M Yao, AG Joly, Z Liu, and W Chen. 2010. "Synthesis and luminescence of CePO4:Tb/LaPO4 core/sheath nanowires." Nanotechnology 21(12):125604. 

Lin SSY, DH Kim, MH Engelhard, and SY Ha. 2010. "Water-induced Formation of Cobalt Oxides Over Supported Cobalt/Ceria-Zirconia Catalysts under Ethanol-Steam Conditions." Journal of Catalysis 273(2):229-235.  doi:10.1016/j.jcat.2010.05.016

Lincoln E, WM Hao, S Baker, RJ Yokelson, IR Burling, S Urbanski, JW Miller, D Weise, and TJ Johnson. 2010. "A Prescribed Fire Emission Factors Database for Land Management and Air Quality Applications." In American Geophysical Union. Fall Meeting, December 13-17, 2010, San Francisco, California, pp. Paper No. A21B-0037.  American Geophysical Union, Washington DC. 

Lyubinetsky I, NA Deskins, Y Du, EK Vestergaard, DJ Kim, and M Dupuis. 2010. "Adsorption States and Mobility of TMAA Molecules on Reduced TiO2(110) Surface." Physical Chemistry Chemical Physics. PCCP 12(23):5986-5992. 

Lyubinetsky I, Y Du, NA Deskins, Z Zhang, Z Dohnalek, and M Dupuis. 2010. "Two Pathways for Water Interaction with Oxygen Adatoms on TiO2(110) Surfaces ." In International Symposium on Atomic Level Characterizations for New Materials and Devices.  Japan Society for the Promotion of Science, Tokyo, Japan. 

Ma R, C Zheng, H Prommer, J Greskowiak, C Liu, JM Zachara, and ML Rockhold. 2010. "A Field-Scale Reactive Transport Model for U(VI) Migration Influenced by Coupled Multirate Mass Transfer and Surface Complexation Reactions." Water Resources Research 46:Art. No. W05509.  doi:10.1029/2009WR008168

Maki A, A Weber, JW Nibler, T Masiello, TA Blake, and RW Kirkpatrick. 2010. "High resolution infrared spectroscopy of [1.1.1]propellane: the region of the v9 band." Journal of Molecular Spectroscopy 264(1):26-36.  doi:10.1016/j.jms.2010.08.008

Malathy Devi V, DC Benner, CP Rinsland, MAH Smith, RL Sams, TA Blake, JM Flaud, K Sung, LR Brown, and AW Mantz. 2010. "Multispectrum measurements of spectral line parameters including temperature dependences of N2- and self-broadened half-width coefficients in the region of the v9 band of 12C2H6." Journal of Quantitative Spectroscopy and Radiative Transfer 111(17-18):2481-2504.  doi:10.1016/j.jqsrt.2010.07.010

Martin MA, AJ Perry, T Masiello, KD Schwartz, JW Nibler, A Weber, A Maki, and TA Blake. 2010. "High-Resolution Infrared Spectra of Bicyclo[1.1.1]pentane." Journal of Molecular Spectroscopy 262(1):42-48.  doi:10.1016/j.jms.2010.04.010

Matson DW, GL Graff, JL Male, BR Johnson, Z Nie, AG Joly, and LC Olsen. 2010. "Synthesis and Screening of Thin Films in the CeCl3-CeBr3 System for Scintillator Applications." Thin Solid Films 518(12):3194-3198.  doi:10.1016/j.tsf.2009.09.015

McGrath MJ, JN Ghogomu, CJ Mundy, IFW Kuo, and JI Siepmann. 2010. "First Principles Monte Carlo Simulations of Aggregation in the Vapor Phase of Hydrogen Fluoride." Physical Chemistry Chemical Physics. PCCP 12(27):7678-7687.  doi:10.1039/b924506e

Mei D, RJ Rousseau, SM Kathmann, VA Glezakou, MH Engelhard, W Jiang, CM Wang, MA Gerber, JF White, and DJ Stevens. 2010. "Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A combined experimental and theoretical modeling study." Journal of Catalysis 271(2):325-342. 

Mudiyanselage K, D Mei, CW Yi, JF Weaver, and J Szanyi. 2010. "Formation, characterization and reactivity of adsorbed oxygen on BaO/Pt(111)." Journal of Physical Chemistry C 114(47):20195-20206. 

Murakami H, X Chen, MS Hahn, Y Liu, ML Rockhold, VR Vermeul, JM Zachara, and Y Rubin. 2010. "Bayesian approach for three-dimensional aquifer characterization at the Hanford 300 Area." Hydrology and Earth System Sciences 14:1989-2001.  doi:10.5194/hess-14-1989-2010

Neiner D, AT Luedtke, AJ Karkamkar, WJ Shaw, J Wang, N Browning, T Autrey, and SM Kauzlarich. 2010. "Decomposition Pathway of Ammonia Borane on the Surface of nano-BN." Journal of Physical Chemistry C 114(32):13935-13941. 

Ng DC, T Song, SO Siu, CK Siu, J Laskin, and IK Chu. 2010. "Formation, isomerization, and dissociation of alpha-carbon-centered and pi-centered glycylglycyltryptophan radical cations." Journal of Physical Chemistry B 114(6):2270-2280.  doi:10.1021/jp908599a

Nguyen TB, AP Bateman, DL Bones, S Nizkorodov, J Laskin, and A Laskin. 2010. "High-Resolution Mass Spectroscopic Analysis of Secondary Organic Aerosol Generated by Ozonolysis of Isoprene." Atmospheric Environment 44(8):1032-1042.  doi:10.1016/j.atmosenv.2009.12.019

Nixon CA, RK Achterberg, NA Teanby, PG Irwin, JM Flaud, I Kleiner, A Dehayem-kamadjeu, LR Brown, RL Sams, B Bezard, A Coustenis, TM Ansty, A Mamoutkine, S Vinatier, GL Bjoraker, DE Jennings, PN Romani, and FM Flasar. 2010. "Upper limits for undetected trace species in the stratosphere of Titan." Faraday Discussions 147:65-81.  doi:10.1039/C003771K

Paesani F, S Yoo, HJ Bakker, and SS Xantheas. 2010. "Nuclear Quantum Effects in the Reorientation of Water." The Journal of Physical Chemistry Letters 1(15):2316-2321.  doi:10.1021/jz100734w

Palumbo O, A Paolone, P Rispoli, R Cantelli, and T Autrey. 2010. "Decomposition of NH3BH3 at sub-ambient pressures: A combined thermogravimetry-differential thermal analysis-mass spectrometry study." Journal of Power Sources 195(6):1615-1618 . 

Pan Y, C Liu, D Mei, and Q Ge. 2010. "Effects of Hydration and Oxygen Vacancy on CO2 Adsorption and Activation on ß-Ga2O3(100)." Langmuir 26(8):5551-5558.  doi:10.1021/la903836v

Pandelov S, JC Werhahn, BM Pilles, SS Xantheas, and H Iglev. 2010. "An empirical correlation between the enthalpy of solution of aqueous salts and their ability to form hydrates." Journal of Physical Chemistry A 114(38):10454-10457.  doi:10.1021/jp106050r

Paolone A, O Palumbo, P Rispoli, R Cantelli, and T Autrey. 2010. "An Investigation of the Structural Phase Transition of Ammonia Borane." Materials Science and Engineering. A. Structural Materials: Properties, Microstructure and Processing 521-22:169-171. 

Parkinson GS, Z Dohnalek, RS Smith, and BD Kay. 2010. "Reactivity of Fe0 Atoms with mixed CCI4 and D2O films over FeO (111)." Journal of Physical Chemistry C 114(40):17136-17141.  doi:10.1021/jp103896k

Peale RE, JW Cleary, M Ishimaru, CW Smith, K Baillie, JE Colwell, KM Beck, AG Joly, O Edwards, and CJ Fredricksen. 2010. "Gold-black as IR Absorber and Solar Cell Enhancer." In Materials Research Society Symposium Proceedings, 2009 Fall Meeting, November 30 - December 4, 2009, Boston MA, vol. 1208, pp. 1208-O21-04.  Materials Research Society, Warrendale, PA.  doi:10.1557/PROC-1208-O21-04

Peretyazhko T, JM Zachara, DW Kennedy, JK Fredrickson, BW Arey, JP McKinley, CM Wang, A Dohnalkova, and Y Xia. 2010. "Ferrous Phosphate Surface Precipitates Resulting from the Reduction of Intragrain 6-line Ferrihydrite by Shewanella oneidensis MR-1 ." Geochimica et Cosmochimica Acta 74(13):3751-3767.  doi:10.1016/j.gca.2010.04.008

Peretyazhko T, JM Zachara, DW Kennedy, JK Fredrickson, BW Arey, JP McKinley, CM Wang, A Dohnalkova, and Y Xia. 2010. "Ferrous phosphate surface precipitates resulting from the reduction of intragrain 6-line ferrihydrite by Shewanella oneidensis MR-1." Geochimica et Cosmochimica Acta 74(13):3751-3767.  doi:10.1016/j.gca.2010.04.008

Pierce EM, LR Reed, WJ Shaw, BP McGrail, JP Icenhower, CF Windisch, Jr, EA Cordova, and JW Broady. 2010. "Experimental Determination of the Effect of the Ratio of B/Al on Glass Dissolution along the Nepheline (NaAlSiO4) - Malinkoite (NaBSiO4) Join." Geochimica et Cosmochimica Acta 74:2634-2654.  doi:10.1016/j.gca.2009.09.006

Rainbolt JE, PK Koech, CR Yonker, F Zheng, D Main, ML Weaver, JC Linehan, and DJ Heldebrant. 2010. "Anhydrous Tertiary Alkanolamines as Hybrid Chemical and Physical CO2 Capture Reagents with Pressure-Swing Regeneration." Energy & Environmental Science 4(2):480-484.  doi:10.1039/C0EE00506A

Rakowski DuBois M, and DL DuBois. 2010. "A Modular Approach to the Development of Molecular Electrocatalysts for H2 Oxidation and Production Based on Inexpensive Metals." Chapter 7 in Catalysis without Precious Metals , ed. RM Bullock, pp. 165-180.  John Wiley & Sons, Inc., Hoboken, NJ. 

Rassat SD, CL Aardahl, T Autrey, and RS Smith. 2010. "Thermal Stability of Ammonia Borane: A Case Study for Exothermic Hydrogen Storage Materials." Energy and Fuels 24(4):2596-2606.  doi:10.1021/ef901430a

Reardon CL, A Dohnalkova, P Nachimuthu, DW Kennedy, D Saffarini, BW Arey, L Shi, Z Wang, DA Moore, JS Mclean, DM Moyles, MJ Marshall, JM Zachara, JK Fredrickson, and AS Beliaev. 2010. "Role of Outer-Membrane Cytochromes MtrC and OmcA in the Biomineralization of Ferrihydrite by Shewanella oneidensis MR-1." Geobiology 8(1):56-68.  doi:10.1111/j.1472-4669.2009.00226.x

Roberts JM, P Veres, C Warneke, A Neuman, R Washenfelder, S Brown, M Baasandroj, J Burkholder, I Burling, TJ Johnson, RL Yokelson, and JA de Gouw. 2010. "Measurement of HONO, HNCO, and Other Inorganic Acids by Negative-ion Proton-Transfer Chemical-Ionization Mass Spectrometry (NI-PT-CIMS):Application to Biomass Burning Emissions." Atmospheric Measurement Techniques 3(4):981-990.  doi:10.5194/amt-3-981-2010

Shaw LL, X Wan, JZ Hu, JH Kwak, and Z Yang. 2010. "Solid-State Hydriding Mechanism in the LiBH4 + MgH2 System." Journal of Physical Chemistry C 114(17):8089-8098.  doi:10.1021/jp1003837

Shaw WJ, ME Bowden, AJ Karkamkar, CJ Howard, DJ Heldebrant, NJ Hess, JC Linehan, and T Autrey. 2010. "Characterization of a New Phase of Ammonia Borane." Energy & Environmental Science 3(6):796-804. 

Smith RS, J Matthiesen, and BD Kay. 2010. "Breaking through the Glass Ceiling: The Correlation Between the Self-Diffusivity in and Krypton Permeation through Deeply Supercooled Liquid Nanoscale Methanol Films." Journal of Chemical Physics 132(12):Art. No. 124502.  doi:10.1063/1.3361664

Smith RS, J Matthiesen, and BD Kay. 2010. "Measuring Diffusivity in Supercooled Liquid Nanoscale Films using Inert Gas Permeation: I. Kinetic Model and Scaling Methods." Journal of Chemical Physics 133(17):174504-11.  doi:10.1063/1.3497654

Stewart ML, TR Gallant, DH Kim, GD Maupin, and A Zelenyuk. 2010. Fuel Efficient Diesel Particulate Filter (DPF) Modeling and DevelopmentPNNL-19476, Pacific Northwest National Laboratory, Richland, WA. 

Suriamoorthy P, X Zhang, G Hao, AG Joly, S Singh, M Hossu, X Sun, and W Chen. 2010. "Folic acid-CdTe quantum dot conjugates and their applications for cancer cell targeting." Cancer Nanotechnology 1(1-6):19-28.  doi:10.1007/s12645-010-0003-3

Um W, JM Zachara, C Liu, DA Moore, and KA Rod. 2010. "Resupply Mechanism to a Contaminated Aquifer: A Laboratory Study of U(VI) Desorption from Capillary Fringe Sediments." Geochimica et Cosmochimica Acta 74(18):5155-5170. 

Vaden TD, C Song, RA Zaveri, D Imre, and A Zelenyuk. 2010. "Morphology of Mixed Primary and Secondary Organic Particles and the Adsorption of Spectator Organic Gases during Aerosol Formation." Proceedings of the National Academy of Sciences of the United States of America 107(15):6658-6663.  doi:10.1073/pnas.0911206107

Vermeul VR, JP McKinley, DR Newcomer, RD Mackley, and JM Zachara. 2010. "River-Induced Flow Dynamics in Long-Screen Wells and Impact on Aqueous Samples." Ground Water 49(4):515-524.  doi:10.1111/j.1745-6584.2010.00769.x

Wang D, R Kou, D Choi, Z Yang, Z Nie, J Li, LV Saraf, D Hu, J Zhang, GL Graff, J Liu, MA Pope, and IA Aksay. 2010. "Ternary Self-Assembly of Ordered Metal Oxide-Graphene Nanocomposites for Electrochemical Energy Storage ." ACS Nano 4(3):1587-1595.  doi:10.1021/nn901819n

Wang P, and J Laskin. 2010. "Surface Modification Using Reactive Landing of Mass-Selected Ions." Chapter Part 1 in Ion Beams in Nanoscience and Technology, pp. 37-65.  Springer, New York. 

Wang TH, DA Dixon, and MA Henderson. 2010. "C-C and C-Heteroatom Bond Dissociation Energies in CH3R'C(OH)2: Energetics for Photocatalytic Processes of Organic Diolates on TiO2 Surfaces." Journal of Physical Chemistry C 114(33):14083-14092.  doi:10.1021/jp1024697

Wang XB, K Kowalski, LS Wang, and SS Xantheas. 2010. "Stepwise hydration of the cyanide anion: A temperature-controlled photoelectron spectroscopy and ab initio computational study of CN-(H2O)n(n=2-5)." Journal of Chemical Physics 132(12):124306/1-10.  doi:10.1063/1.3360306

Wang Y, Z Li, D Hu, CT Lin, J Li, and Y Lin. 2010. "Aptamer/Graphene Oxide Nanocomplex for In Situ Molecular Probing in Living Cells." Journal of the American Chemical Society 132(27):9274-9276.  doi:10.1021/ja103169v

Wang YL, XB Wang, X Xing, F Wei, J Li, and LS Wang. 2010. "Photoelectron Imaging and Spectroscopy of MI2- (M = Cs, Cu, Au): Evolution from Ionic to Covalent Bonding." Journal of Physical Chemistry A 114(42):11244-11251.  doi:10.1021/jp103173d

Wang YL, HJ Zhai, L Xu, J Li, and LS Wang. 2010. "Vibrationally Resolved Photoelectron Spectroscopy of Di-Gold Carbonyl Clusters Au2(CO)n-(n=1-3): Experiment and Theory." Journal of Physical Chemistry A 114(3):1247-1254.  doi:10.1021/jp903558v

Wang Z, Y Du, Z Dohnalek, and I Lyubinetsky. 2010. "Direct Observation of Site Specific Molecular Chemisorption of O2 on TiO2 (110)." The Journal of Physical Chemistry Letters 1(24):3524-3529.  doi:10.1021/jz101535f

Welch KD, WG Dougherty, WS Kassel, DL DuBois, and RM Bullock. 2010. "Synthesis, Structures, and Reactions of Manganese Complexes Containing Diphosphine Ligands With Pendant Amines." Organometallics 29(20):4532-4540.  doi:10.1021/om100668e

Wick CD, and LX Dang. 2010. "Computational investigation of the influence of organic-aqueous interfaces on NaCl dissociation dynamics." Journal of Chemical Physics 132(4):Art. No. 044702.  doi:10.1063/1.3299279

Wick CD, and LX Dang. 2010. "The behavior of NaOH at the air-water interface, a computational study." Journal of Chemical Physics 133(2):Article number: 024705. 

Wick CD, TM Chang, and LX Dang. 2010. "Molecular mechanism of CO2 and SO2 molecules binding to the air/liquid interface of 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid: A Molecular dynamics study with polarizable potential models." Journal of Physical Chemistry B 114(46):14965-14971.  doi:10.1021/jp106768y

Wiedner ES, JY Yang, WG Dougherty, WS Kassel, RM Bullock, M Rakowski DuBois, and DL DuBois. 2010. "Comparison of Cobalt and Nickel Complexes with Sterically Demanding Cyclic Diphosphine Ligands: Electrocatalytic H2 Production by [Co(PtBu2NPh2)(CH3CN)3](BF4)2." Organometallics 29(21):5390-5401.  doi:10.1021/om100395r

Wilson AD, AJ Miller, DL DuBois, JA Labinger, and JE Bercaw. 2010. "Thermodynamic Studies of [H2Rh(diphosphine)2]+ and [HRh(diphosphine)2(CH3CN)]2+ Complexes in Acetonitrile." Inorganic Chemistry 49(8):3918-3926. 

Xiong G, R Shao, SJ Peppernick, AG Joly, KM Beck, WP Hess, M Cai, J Duchene, JY Wang, and W Wei. 2010. "Materials Applications of Photoelectron Emission Microscopy." JOM. The Journal of the Minerals, Metals and Materials Society 62(12):90-93.  doi:10.1007/s11837-010-0189-1

Xiong Z, YS Chua, G Wu, L Wang, MW Wong, ZM Kam, T Autrey, T Kemmitt, and P Chen. 2010. "Interaction of Ammonia Borane with Li2NH and Li3N." Dalton Transactions 39(3):720-722.  doi:10.1039/B916994F

Xu K, YW Zhang, B Tang, J Laskin, PJ Roach, and H Chen. 2010. "Study of Highly Selective and Efficient Thiol Derivatization using Selenium Reagents by Mass Spectrometry." Analytical Chemistry 82(16):6926-6932.  doi:10.1021/ac1011602

Yang JY, RM Bullock, WG Dougherty, WS Kassel, B Twamley, DL DuBois, and M Rakowski DuBois. 2010. "Reduction of Oxygen Catalyzed by Nickel Diphosphine Complexes with Positioned Pendant Amines." Dalton Transactions 39(12):3001-3010. 

Yang JY, S Chen, WG Dougherty, WS Kassel, RM Bullock, DL DuBois, S Raugei, RJ Rousseau, M Dupuis, and M Rakowski DuBois. 2010. "Hydrogen Oxidation Catalysis by a Nickel Diphosphine Complex with Pendant tert-Butyl Amines." Chemical Communications 46:8618-8620.  doi:10.1039/C0CC03246H

Yang Y, CA Mims, RS Disselkamp, JH Kwak, CHF Peden, and CT Campbell. 2010. "(Non) formation of methanol by direct hydrogenation of formate on copper catalysts." Journal of Physical Chemistry C 114(40):17205-17211.  doi:10.1021/jp104068k

Yao M, AG Joly, and W Chen. 2010. "Formation and Luminescence Phenomena of LaF3:Ce3+ Nanoparticles and Lanthanide-Organic Compounds in Dimethyl Sulfoxide." Journal of Physical Chemistry C 114(2):826-831.  doi:10.1021/jp9092173

Yao M, X Zhang, L Ma, W Chen, AG Joly, J Huang, and Q Wang. 2010. "Luminescence Enhancement of CdTe Nanostructures in LaF3:Ce/CdTe Nanocomposites." Journal of Applied Physics 108(10):207-213.  doi:10.1063/1.3506416

Yu XY, JP Cowin, MJ Iedema, and HM Ali. 2010. "Fast Time-Resolved Aerosol Collector: Proof of Concept." Atmospheric Measurement Techniques 3:1377-1384.  doi:10.5194/amt-3-1377-2010

Zachara JM, BN Bjornstad, JN Christensen, ME Conrad, JK Fredrickson, MD Freshley, R Haggerty, G Hammon, DB Kent, A Konopka, PC Lichtner, C Liu, JP McKinley, CJ Murray, ML Rockhold, Y Rubin, VR Vermeul, RJ Versteeg, AL Ward, and C Zheng. 2010. Multi-Scale Mass Transfer Processes Controlling Natural Attenuation and Engineered Remediation: An IFRC Focused on Hanford’s 300 Area Uranium PlumePNNL-19209, Pacific Northwest National Laboratory, Richland, WA. 

Zehr RT, NA Deskins, and MA Henderson. 2010. "Photochemistry of 1,1,1-Trifluoroacetone on Rutile TiO2(110)." Journal of Physical Chemistry C 114(40):16900-16908. 


Alnajjar MS, and TO Haynie. 2009. Handling Pyrophoric ReagentsPNNL-18668, Pacific Northwest National Laboratory, Richland, WA. 

Blake TA, JF Kelly, NB Gallagher, PL Gassman, and TJ Johnson. 2009. "Passive Standoff Detection of RDX Residues on Metal Surfaces via Infrared Hyperspectral Imaging." Analytical and Bioanalytical Chemistry 395(2):337-348. 

Bushaw BA, and NC Anheier, Jr. 2009. "Isotope Ratio Analysis on Micron-Sized Particles in Complex Matrices by Laser Ablation - Absorption Ratio Spectrometry." Spectrochimica Acta. Part B, Atomic Spectroscopy 64(11-12):1259-1265.  doi:10.1016/j.sab.2009.10.002

Cort JR, and HM Cho. 2009. "1H and 13C NMR Chemical Shift Assignments and Conformational Analysis for the Two Diastereomers of the Vitamin K Epoxide Reductase Inhibitor Brodifacoum." Magnetic Resonance in Chemistry 47(10):897-901.  doi:10.1002/mrc.2475

Dang LX, and CD Wick. 2009. "Investigating hydroxide anion interfacial activity by classical and multi-state empirical valence bond molecular dynamics simulations." Journal of Physical Chemistry A 113(22):6356-6364. 

Deskins NA, and M Dupuis. 2009. "Intrinsic Hole Migration Rates in TiO2 from Density Functional Theory." Journal of Physical Chemistry C 113(1):346-358. 

Forrester JB, NB Valentine, YF Su, and TJ Johnson. 2009. "Chemometric Analysis of Multiple Species of Bacillus Bacterial Endospores Using Infrared Spectroscopy: Discrimination to the Strain Level ." Analytica Chimica Acta 651(1):24-30. 

Govind N, PV Sushko, WP Hess, M Valiev, and K Kowalski. 2009. "Excitons in Potassium Bromide: A Study using Embedded Time-dependent Density Functional Theory and Equation-of-Motion Coupled Cluster Methods." Chemical Physics Letters 470(4-6):353-357.  doi:10.1016/j.cplett.2009.01.073

Grate JW, MH Abraham, and BM Wise. 2009. "Design and Information Content of Arrays of Sorption-based Vapor Sensors using Solubility Interactions and Linear Solvation Energy Relationships." Chapter 9 in Computational Methods for Sensor Material Selection, ed. MA Ryan, AV Shevade, CJ Taylor et al , pp. 193-220.  Springer, New York, NY. 

Heldebrant DJ, CR Yonker, PG Jessop, and L Phan. 2009. "Reversible uptake of COS, CS2 and SO2; Ionic liquids with O-alkylxanthate, O-alkylthiocarbonate, and O-alkylsulfite anions." Chemistry - a European Journal 15(31):7619-7627. 

Hu D, Z Tian, W Wu, W Wan, and AD Li. 2009. "Single-Molecule Photoswitching Enables High-Resolution Optical Imaging." In Microscopy and Microanalysis , vol. 15, no. Suppl. 2, pp. 840-841.  Cambridge University Press, Cambridge, United Kingdom. 

Hu JZ, JA Sears, Jr, JH Kwak, DW Hoyt, Y Wang, and CHF Peden. 2009. "An Isotropic Chemical Shift-Chemical Shift Anisotropic Correlation Experiment Using Discrete Magic Angle Turning." Journal of Magnetic Resonance 198(1):105-110. 

Johnson TJ, SD Williams, NB Valentine, and YF Su. 2009. "The Infrared Spectra of Bacillus Bacteria Part II: Sporulated Bacillus-the Effect of Vegetative Cells and Contributions of Calcium Dipicolinate Trihydrate, CaDP·3H2O ." Applied Spectroscopy 63(8):908-915. 

Kathmann SM, GK Schenter, BC Garrett, B Chen, and JI Siepmann. 2009. "Thermodynamics and Kinetics of Nanoclusters Controlling Gas-to-Particle Nucleation." Journal of Physical Chemistry C 113(24):10354-10370. 

Kim DH, GG Muntean, CHF Peden, K Howden, R Stafford, J Stang, A Yezerets, N Currier, HY Chen, and H Hess. 2009. CRADA Final Report: Mechanisms of Sulfur Poisoning of NOx Adsorber MaterialsPNNL-18195, Pacific Northwest National Laboratory, Richland, WA. 

Kim DH, J Szanyi, JH Kwak, X Wang, JC Hanson, MH Engelhard, and CHF Peden. 2009. "Effects of sulfation level on the desulfation behavior of pre-sulfated Pt BaO/Al2O3 lean NOx trap catalysts: a combined H2 Temperature-Programmed Reaction, in-situ sulfur K-edge X-ray Absorption Near-Edge Spectroscopy, X-ray Photoelectron Spectroscopy, and Time-Resolved X-ray Diffraction Study." Journal of Physical Chemistry C 113(17):7336-7341.  doi:10.1021/jp900304h

Kim DH, JH Kwak, J Szanyi, X Wang, G Li, JC Hanson, and CHF Peden. 2009. "Characteristics of Desulfation Behavior for Pre-Sulfated Pt-BaO/CeO2 Lean NOx Trap Catalysts: The Role of the CeO2 Support." Journal of Physical Chemistry C 113(50):21123-21129 .  doi:10.1021/jp9062548

Kim DH, JH Kwak, J Szanyi, X Wang, MH Engelhard, and CHF Peden. 2009. "Promotional effect of CO2 on desulfation processes for pre-sulfated Pt BaO/Al2O3 lean NOx trap catalysts." Topics in Catalysis 52(13-20):1719-1722.  doi:10.1007/s11244-009-9328-8

Kim YK, Z Dohnalek, BD Kay, and RJ Rousseau. 2009. "Competitive Oxidation and Reduction of Aliphatic Alcohols over (WO3)3 Clusters." Journal of Physical Chemistry C 113(22):9721-9730. 

Kim YK, Z Zhang, GS Parkinson, SC Li, BD Kay, and Z Dohnalek. 2009. "Reactivity of FeO(111)/Pt(111)with Alcohols." Journal of Physical Chemistry C 113(46):20020-20028 . 

Lei C, D Hu, and EJ Ackerman. 2009. "Clay Nanoparticle-Supported Single-Molecule Fluorescence Spectroelectrochemistry." Nano Letters 9(2):655-658. 

Liu C, JM Zachara, L Zhong, SM Heald, Z Wang, BH Jeon, and JK Fredrickson. 2009. "Microbial Reduction of Intragrain U(VI) in Contaminated Sediment." Environmental Science & Technology 43(13):4928-4933.  doi:10.1021/es8029208

Liu C, Z Shi, and JM Zachara. 2009. "Kinetics of Uranium(VI) Desorption from Contaminated Sediments: Effect of Geochemical Conditions and Model Evaluation ." Environmental Science & Technology 43(17):6560-6566. 

Masiello T, A Maki, and TA Blake. 2009. "Analysis of the High-Resolution Infrared Spectrum of Cyclopropane." Journal of Molecular Spectroscopy 255(1):45-55. 

Matthiesen J, RS Smith, and BD Kay. 2009. "Using Rare Gas Permeation to Probe Methanol Diffusion near the Glass Transition Temperature." Physical Review Letters 103(24):Article Number: 245902. 

Mei D, Q Ge, J Szanyi, and CHF Peden. 2009. "First-principles Analysis of NOx Adsorption on Anhydrous ?-Al2O3 Surfaces." Journal of Physical Chemistry C 113(18):7779-7789.  doi:10.1021/jp8103563

Mei D, Q Ge, JH Kwak, DH Kim, CM Verrier, J Szanyi, and CHF Peden. 2009. "Characterization of Surface and Bulk Nitrates of ?-Al2O3-Supported Alkaline Earth Oxides using Density Functional Theory." Physical Chemistry Chemical Physics. PCCP 11(18):3380-3389.  doi:10.1039/b819347a

Mudiyanselage K, CW Yi, and J Szanyi. 2009. "Oxygen Coverage Dependence of NO Oxidation on Pt(111)." Journal of Physical Chemistry C 113(14):5766-5776. 

Mudiyanselage K, CWW Yi, and J Szanyi. 2009. "Reactivity of a Thick BaO Film Supported on Pt(111): Adsorption and Reaction of NO2, H2O and CO2." Langmuir 25(18):10820-10828.  doi:10.1021/la901371g

Mundy CJ, IFW Kuo, ME Tuckerman, HS Lee, and DJ Tobias. 2009. "Hydroxide Anion at the Air-Water Interface." Chemical Physics Letters 481(1-3):2-8. 

Petrik NG, and GA Kimmel. 2009. "Nonthermal Water Splitting on Rutile TiO2: Electron-Stimulated Production of H-2 and O-2 in Amorphous Solid Water Films on TiO2(110)." Journal of Physical Chemistry C 113(11):4451-4460. 

Rousseau RJ, GK Schenter, JL Fulton, JC Linehan, MH Engelhard, and T Autrey. 2009. "Defining Active Catalyst Structure and Reaction Pathways from ab Initio Molecular Dynamics and Operando XAFS: Dehydrogenation of Dimethylaminoborane by Rhodium Clusters ." Journal of the American Chemical Society 131(30):10516-10524. 

Sun X, and LX Dang. 2009. "Computational studies of aqueous interfaces of RbBr salt solutions ." Journal of Chemical Physics 130(12):Article no. 124709.  doi:10.1063/1.3096916

Sun X, CD Wick, and LX Dang. 2009. "Computational studies of aqueous interfaces of SrCl2 salt solutions ." Journal of Physical Chemistry B 113(42):13993-13997. 

Sun X, TM Chang, Y Cao, S Niwayama, WL Hase, and LX Dang. 2009. "Solvation of Dimethyl Succinate in a Sodium Hydroxide Aqueous Solution. A Computational Study." Journal of Physical Chemistry B 113(18):6473-6477. 

Valiev M, R D'Auria, DJ Tobias, and BC Garrett. 2009. "Interactions of Cl- and OH Radical in Aqueous Solution." Journal of Physical Chemistry A 113(31):8823-8825. 

Xantheas SS, and GA Voth. 2009. "Aqueous Solutions and their Interfaces." Journal of Physical Chemistry B 113(13):3997-3999. 

Xantheas SS. 2009. "COMPUTATIONAL CHEMISTRY Dances with hydrogen cations." Nature 457(7230):673-674. 

Yoo S, MV Kirov, and SS Xantheas. 2009. "Low-energy networks of the T-cage (H2O)(24) cluster and their use in constructing periodic unit cells of the structure I (sl) hydrate lattice." Journal of the American Chemical Society 131(22):7564-7566. 

Yoo S, SS Xantheas, and XC Zeng. 2009. "The Melting Temperature of Bulk Silicon from ab initio Molecular Dynamics Simulations." Chemical Physics Letters 481(1-3):88-90. 

Yoo S, XC Zeng, and SS Xantheas. 2009. "On the phase diagram of water with density functional theory potentials: the melting temperature of Ice I-h with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals." Journal of Chemical Physics 130(22):Art. No. 211102. 

Zelenyuk A, and D Imre. 2009. "Beyond single particle mass spectrometry: multidimensional characterisation of individual aerosol particles." International Reviews in Physical Chemistry 28(2):309-358. 

Zelenyuk A, J Yang, and DG Imre. 2009. "Comparison Between Mass Spectra of Individual Organic Particles Generated by UV Laser Ablation and in the IR/UV Two-Step Mode." International Journal of Mass Spectrometry 282(1-2):6-12. 

Zelenyuk A, J Yang, DG Imre, and EY Choi. 2009. "Achieving Size Independent Hit-Rate in Single Particle Mass Spectrometry." Aerosol Science and Technology 43(4):305-310. 

Zelenyuk A, J Yang, EY Choi, and DG Imre. 2009. "SPLAT II: An Aircraft Compatible, Ultra-Sensitive, High Precision Instrument for In-Situ Characterization of the Size and Composition of Fine and Ultrafine Particles." Aerosol Science and Technology 43(5):411-424. 

Zhu K, JZ Hu, X She, J Liu, Z Nie, Y Wang, CHF Peden, and JH Kwak. 2009. "Characterization of Dispersed Heteropoly Acid on Mesoporous Zeolite Using Solid-State P-31 NMR Spin-Lattice Relaxation." Journal of the American Chemical Society 131(28):9715-9721.  doi:10.1021/ja901317r

Akin MC, NG Petrik, and GA Kimmel. 2009. "Electron-Stimulated Reactions and O-2 Production in Methanol-Covered Amorphous Solid Water Films." Journal of Chemical Physics 130(10):Art. No. 104710. 

Anheier NC, Jr, and BA Bushaw. 2009. "Isotope Enrichment Detection by Laser Ablation - Dual Tunable Diode Laser Absorption Spectrometry." In Proceedings of the 50th Annual Meeting of the Institute of Nuclear Materials Management.  Institute of Nuclear Materials Management , Deerfield, IL. 

Appel AM, SJ Lee, JA Franz, DL DuBois, and M Rakowski DuBois. 2009. "Free Energy Landscapes for S-H Bonds in (Cp2Mo2S4)-Mo-star Complexes." Journal of the American Chemical Society 131(14):5224-5232.  doi:10.1021/ja8093179

Apra E, AP Rendell, RJ Harrison, V Tipparaju, WA De Jong, and SS Xantheas. 2009. "Liquid Water: Obtaining the right answer for the right reasons." In Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis (SC '09), November 14-20, 2009, Portland, Oregon.  Association for Computing Machinery, New York, NY.  doi:10.1145/1654059.1654127

Arseneau DJ, DG Fleming, O Sukhorukov, JH Brewer, BC Garrett, and DG Truhlar. 2009. "The muonic He atom and a preliminary study of the He-4 mu + H-2 reaction ." Physica B Condensed Matter 404(5-7):946-949. 

Bateman AP, S Nizkorodov, J Laskin, and A Laskin. 2009. "Time-Resolved Molecular Characterization of Limonene/Ozone Aerosol using High-Resolution Electrospray Ionization Mass Spectrometry." Physical Chemistry Chemical Physics. PCCP (11):7931-7942.  doi:10.1039/b905288g

Beck KM, AG Joly, and WP Hess. 2009. "Two-color Laser Desorption of Nanostructured MgO Thin Films." Applied Surface Science 255(24):9562-9565.  doi:10.1016/j.apsusc.2009.04.089

Bell RC, K Wu, MJ Iedema, GK Schenter, and JP Cowin. 2009. "The Oil-Water Interface: Mapping the Solvation Potential." Journal of the American Chemical Society 131(3):1037-1042.  doi:10.1021/ja805962x

Camaioni DM, B Ginovska, and M Dupuis. 2009. "Modeling the Reaction of Fe Atoms with CCl4 ." Journal of Physical Chemistry C 113(5):1830-1836. 

Cheng L, D Mei, and Q Ge. 2009. "Origin of Support Effects on the Reactivity of a Ceria Cluster." Journal of Physical Chemistry C 113(42):18296-18303.  doi:10.1021/jp906873t

Cholette F, T Zubkov, RS Smith, Z Dohnalek, BD Kay, and P Ayotte. 2009. "Infrared Spectroscopy and Optical Constants of Porous Amorphous Solid Water." Journal of Physical Chemistry B 113(13):4131-4140. 

Craig NC, MC Moore, CF Neese, DC Oertel, L Pedraza, and T Masiello. 2009. "High-resolution infrared spectra of the two nonpolar isomers of 1,4-difluorobutadiene." Journal of Molecular Spectroscopy 254(1):39-46. 

Daschbach JL, X Sun, TM Chang, PK Thallapally, BP McGrail, and LX Dang. 2009. "Computational studies of load-dependent guest dynamics and free energies of inclusion for CO2 in low-density p-tert-butylcalix[4]arene at loadings up to 2:1 ." Journal of Physical Chemistry A 113(14):3369-3374.  doi:10.1021/jp808490g

Deskins NA, D Mei, and M Dupuis. 2009. "Adsorption and diffusion of a single Pt atom on gamma-Al2O3 surfaces." Surface Science 603(17):2793-2807. 

Deskins NA, RJ Rousseau, and M Dupuis. 2009. "Localized Electronic States from Surface Hydroxyls and Polarons in TiO2(110)." Journal of Physical Chemistry C 113(33):14583-14586 . 

Devarakonda MN, DH Kim, JH Kwak, JH Lee, CHF Peden, ML Stewart, J Szanyi, RG Tonkyn, DN Tran, A Zelenyuk, and DR Herling. 2009. "CLEERS Aftertreatment Modeling and Analysis." Chapter II.B.1 in FY 2009 Progress Report for Advanced Combustion Engine Research and Development, pp. 155-163.  Energy Efficiency and Renewable Energy, Washington, D.C.. 

Dreger ZA, E Balasubramaniam, YM Gupta, and AG Joly. 2009. "High-Pressure Effects on the Electronic Structure of Anthracene Single Crystals: Role of Nonhydrostaticity." Journal of Physical Chemistry A 113(8):1489-1496. 

Droubay TC, D Keavney, TC Kaspar, SM Heald, CM Wang, CA Johnson, KM Whitaker, DR Gamelin, and SA Chambers. 2009. "Correlated substitution in paramagnetic Mn2+-doped ZnO epitaxial films." Physical Review. B, Condensed Matter and Materials Physics 79(15):Article number:155203. 

Du S, JS Francisco, GK Schenter, and BC Garrett. 2009. "Interaction of C1O radical with liquid water." Journal of the American Chemical Society 131(41):14778-14785. 

Du Y, NA Deskins, Z Zhang, Z Dohnalek, M Dupuis, and I Lyubinetsky. 2009. "Imaging Consecutive Steps of O2 Reaction with Hydroxylated TiO2(110): Identification of HO2 and Terminal OH Intermediates." Journal of Physical Chemistry C 113(2):666-671. 

Du Y, NA Deskins, Z Zhang, Z Dohnalek, M Dupuis, and I Lyubinetsky. 2009. "Imaging Consecutive Steps of O2 Reaction with Hydroxylated TiO2(110): Identification of HO2 and Terminal OH Intermediates." Journal of Physical Chemistry C 113(2):666-671.  doi: 10.1021/jp807030n

Du Y, NA Deskins, Z Zhang, Z Dohnalek, M Dupuis, and I Lyubinetsky. 2009. "Two Pathways for Water Interaction with Oxygen Adatoms on TiO2(110)." Physical Review Letters 102(9):Art. No. 096102.  doi:10.1103/PhysRevLett.102.096102

Flaud J, WJ Lafferty, and RL Sams. 2009. "Line Intensities for the v1, v3, and v1 + v3 Bands of 34SO2." Journal of Quantitative Spectroscopy and Radiative Transfer 110(9-10):669-674. 

Franz JA, SJ Lee, TA Bowden, MS Alnajjar, AM Appel, JC Birnbaum, TE Bitterwolf, and M Dupuis. 2009. "Activation of the S-H Group in Fe(µ2-SH)Fe Clusters: S-H Bond Strengths and Free Radical Reactivity of the Fe(µ2-SH)Fe Cluster." Journal of the American Chemical Society 131(42):15212-15224. 

Fredrickson JK, JM Zachara, AE Plymale, SM Heald, JP McKinley, DW Kennedy, C Liu, and P Nachimuthu. 2009. "Oxidative Dissolution Potential of Biogenic and Abiogenic TcO2 in Subsurface Sediments." Geochimica et Cosmochimica Acta 73(8):962-976.  doi:10.1016/j.gca.2009.01.027

Fulton JL, SM Kathmann, GK Schenter, and M Balasubramanian. 2009. "Hydrated Structure of Ag(I) Ion from Symmetry-Dependent, K- and L-edge XAFS Multiple Scattering and Molecular Dynamics Simulations." Journal of Physical Chemistry A 113(50):13976-13984. 

Getty AD, CC Tai, JC Linehan, PG Jessop, MM Olmstead, and A Rheingold. 2009. "Hydrogenation of Carbon Dioxide Catalyzed by Ruthenium Trimethylphosphine Complexes: A Mechanistic Investigation using High-Pressure NMR Spectroscopy." Organometallics 28(18):5466-5477.  doi:10.1021/om900128s

Ghosh P, PJ Fagan, WJ Marshall, E Hauptman, and RM Bullock. 2009. "Synthesis of Ruthenium Carbonyl Complexes with Phosphine or Substituted Cp Ligands, and Their Activity in the Catalytic Deoxygenation of 1,2-Propanediol ." Inorganic Chemistry 48(14):6490-6500.  doi:10.1021/ic900413y

Grant DJ, DA Dixon, D Camaioni, RG Potter, and KO Christe. 2009. "Lewis Acidities and Hydride, Fluoride, and V Affinities of the BH3-X-n(n) Compounds for (X = F, Cl, Br, I, NH2, OH, and SH) from Coupled Cluster Theory." Inorganic Chemistry 48(18):8811-8821. 

Grant DJ, MH Matus, K Anderson, DM Camaioni, S Neufeldt, CF Lane, and DA Dixon. 2009. "Thermochemistry for the Dehydrogenation of Methyl Substituted Ammonia Borane Compounds." Journal of Physical Chemistry A 113(21):6121-6132. 

Gupta S, SVNT Kuchibhatla, MH Engelhard, V Shutthanandan, P Nachimuthu, W Jiang, LV Saraf, S Thevuthasan, and S Prasad. 2009. "Influence of samaria doping on the resistance of ceria thin films and its implications to the planar oxygen sensing devices." Sensors and Actuators. B, Chemical 139(2):380-386.  doi:10.1016/j.snb.2009.03.021

Hadjar O, P Wang, JH Futrell, and J Laskin. 2009. "Effect of the Surface on Charge Reduction and Desorption Kinetics of Soft Landed Peptide Ions." Journal of the American Society for Mass Spectrometry 20(6):901-906. 

Hammond JR, N Govind, K Kowalski, J Autschbach, and SS Xantheas. 2009. "Accurate dipole polarizabilities for water clusters n=2-12 at the coupled-cluster level of theory and benchmarking of various density functionals." Journal of Chemical Physics 131(21):Article Number:214103. 

Hartshorne RS, CL Reardon, DE Ross, J Nuester, TA Clarke, AJ Gates, PC Mills, JK Fredrickson, JM Zachara, L Shi, AS Beliaev, MJ Marshall, M Tien, SL Brantley, JN Butt, and D Richardson. 2009. "Characterization of an electron conduit between bacteria and the extracellular environment." Proceedings of the National Academy of Sciences of the United States of America 106(52):22169-22174.  doi:10.1073/pnas.0900086106

Hess NJ, GK Schenter, MR Hartman, LL Daemen, TE Proffen, SM Kathmann, CJ Mundy, MA Hartl, DJ Heldebrant, AC Stowe, and T Autrey. 2009. "Neutron Powder Diffraction and Molecular Simulation Study of the Structural Evolution of Ammonia Borane from 15 to 340 K." Journal of Physical Chemistry A 113(9):5723-5735.  doi:10.1021/jp900839c

Hu D, C Lei, and EJ Ackerman. 2009. "Single-molecule electron transfer reactions in nanomaterials." In Microscopy and Microanalysis 2009: Proceedings, July 26-30, 2009, Richmond, Virginia, vol. 15, no. Suppl 2, ed. LN Brewer, pp. 1138-1139.  Cambridge University Press, New York.  doi:10.1017/S1431927609095178

Hu Q, P Wang, PL Gassman, and J Laskin. 2009. "In situ Studies of Soft- and Reactive Landing of Mass-Selected Ions Using Infrared Reflection Absorption Spectroscopy." Analytical Chemistry 81(17):7302-7308.  doi:10.1021/ac901149s

Huang W, S Bulusu, R Pal, XC Zeng, and LS Wang. 2009. "Structural Transition of Gold Nanoclusters: From the Golden Cage to the Golden Pyramid ." ACS Nano 3(5):1225-1230.  doi:10.1021/nn900232d

Jaisi DP, H Dong, AE Plymale, JK Fredrickson, JM Zachara, S Heald, and C Liu. 2009. "Reduction and long-term immobilization of technetium by Fe(II) associated with clay mineral nontronite ." Chemical Geology 264(1-4):127-138.  doi:10.1016/j.chemgeo.2009.02.018

Johnson TJ, RL Sams, SD Burton, and TA Blake. 2009. "Absolute integrated intensities of vapor-phase hydrogen peroxide (H202) in the mid-infrared at atmospheric pressure." Analytical and Bioanalytical Chemistry 395(2):377-386.  doi:10.1007/s00216-009-2805-x

Johnson TJ, SD Williams, NB Valentine, YF Su, HW Kreuzer-Martin, KL Wahl, and JB Forrester. 2009. "Infrared Signatures of Bacillus Bacteria: Clear IR Distinctions Between Sporulated and Vegetative Cells with Chemical Assighments." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing X , vol. 7304, ed. AW Fountain III and PJ Gardner, p. Article No.: 730407.  SPIE, Bellingham, WA.  doi:10.1117/12.823178

Johnson TJ, SD Williams, NB Valentine, YF Su, HW Kreuzer-Martin, KL Wahl, and JB Forrester. 2009. "Infrared signatures of Bacillus bacteria: Clear IR distinctions between sporulated and vegetative cells with chemical assignments." In Proceedings of SPIE: Chemical, Biological, Radiological, Nuclear and Explosives (CBRNE) Sensing X, vol. 7304, ed. AW Fountain, III and PJ Gardner, p. Paper No. 730407.  SPIE , Bellingham, WA.  doi:10.1117/12.823178

Johnson TJ, YF Su, NB Valentine, HW Kreuzer-Martin, KL Wahl, SD Williams, BH Clowers, and DS Wunschel. 2009. "The Infrared Spectra of Bacillus Bacteria Part I: Vegetative Bacillus versus Sporulated Cells and the Contributions of Phospholipids to Vegetative Infrared Spectra ." Applied Spectroscopy 63(8):899-907. 

Joly AG, KM Beck, and WP Hess. 2009. "Photodesorption of excited iodine atoms from KI (100)." Journal of Chemical Physics 131(14):144509-1/6. 

Josephson GB, RG Tonkyn, KG Rappe, and JG Frye. 2009. Annual Report for Hybrid Plasma Reactor/Filter for Transportable Collective Protection Systems-Phase 1B PNNL-18497, Pacific Northwest National Laboratory, Richland, WA. 

Karkamkar AJ, SM Kathmann, GK Schenter, DJ Heldebrant, NJ Hess, MS Gutowski, and T Autrey. 2009. "Thermodynamic and Structural Investigations of Ammonium Borohydride, a Solid with a Highest Content of Thermodynamically and Kinetically Accessible Hydrogen." Chemistry of Materials 21(19):4356-4358.  doi:10.1021/cm902385c

Kathmann SM, VM Parvanov, GK Schenter, AC Stowe, LL Daemen, MA Hartl, JC Linehan, NJ Hess, AJ Karkamkar, and T Autrey. 2009. "Experimental and Computational Studies on Collective Hydrogen Dynamics in Ammonia Borane: Incoherent Inelastic Neutron Scattering." Journal of Chemical Physics 130(2):article no. 024507.  doi:10.1063/1.3042270

Khan EH, SC Langford, JT Dickinson, LA Boatner, and WP Hess. 2009. "Photoinduced Formation of Zinc Nanoparticles by UV Laser Irradiation of ZnO." Langmuir 25(4):1930-1933. 

Kim HJ, AJ Karkamkar, T Autrey, P Chupas, and TE Proffen. 2009. "Determination of structure and phase transition of light element nanocomposites in mesoporous silica: case study of NH3BH3 in MCM-41." Journal of the American Chemical Society 131(38):13749-13755. 

Kimmel GA, J Matthiesen, M Baer, CJ Mundy, NG Petrik, RS Smith, Z Dohnalek, and BD Kay. 2009. "No Confinement Needed: Observation of a Metastable Hydrophobic Wetting Two-Layer Ice on Graphene." Journal of the American Chemical Society 131(35):12838-12844. 

Kips R, MJ Kristo, I Hutcheon, JE Amonette, Z Wang, TJ Johnson, DC Gerlach, and KB Olsen. 2009. "Determination of the Relative Amount of Fluorine in Uranium Oxyfluoride Particles Using Secondary Ion Mass Spectrometry and Optical Spectroscopy." In Proceeding of the 50th Annual Meeting of the Institute of Nuclear Materials Management.  Institute of Nuclear Materials Management, Deerfield, IL. 

Kirkpatrick RW, T Masiello, N Jariyasopit, JW Nibler, AG Maki, TA Blake, and A Weber. 2009. "High-resolution rovibrational study of the Coriolis-coupled nu(12) and nu(15) modes of [1.1.1]propellane." Journal of Molecular Spectroscopy 253(1):41-50. 

Kou R, Y Shao, D Wang, MH Engelhard, JH Kwak, J Wang, VV Viswanathan, CM Wang, Y Lin, Y Wang, IA Aksay, and J Liu. 2009. "Enhanced Activity and Stability of Pt catalysts on Functionalized Graphene Sheets for Electrocatalytic Oxygen Reduction ." Electrochemistry Communications 11(5):954-957. 

Kwak JH, JZ Hu, D Mei, CWW Yi, DH Kim, CHF Peden, L Allard, and J Szanyi. 2009. "Coordinatively unsaturated Al3+ centers as binding sites for active catalyst phases on ?-Al2O3." Science 325(5948):1670-1673.  doi:10.1126/science.1176745

Lafferty W, J Flaud, EHA Ngom, and RL Sams. 2009. "(SO2)-S-34-O-16: High-resolution analysis of the (030),(101), (111), (002) and (201) vibrational states; determination of equilibrium rotational constants for sulfur dioxide and anharmonic vibrational constants ." Journal of Molecular Spectroscopy 253(1):51-54. 

Laskin A, JS Smith, and J Laskin. 2009. "Molecular Characterization of Nitrogen Containing Organic Compounds in Biomass Burning Aerosols Using High Resolution Mass Spectrometry." Environmental Science & Technology 43(10):3764-3771.  doi:10.1021/es803456n

Lee J, HB Na, BC Kim, JH Lee, B Lee, JH Kwak, Y Hwang, JG Park, MB Gu, J Kim, J Joo, CH Shin, JW Grate, T Hyeon, and J Kim. 2009. "Magnetically-Separable and Highly-Stable Enzyme System Based on Crosslinked Enzyme Aggregates Shipped in Magnetite-Coated Mesoporous Silica ." Journal of Materials Chemistry 19(42):7864-7870 . 

Li G, D Hu, G Xia, and ZC Zhang. 2009. "Methanol Partial Oxidation on MoO3/SiO2 Catalysts: Application of Vibrational Spectroscopic Imaging Techniques in a High Throughput Operando Reactor." Topics in Catalysis 52:1381-1387. 

Li S, HJ Zhai, LS Wang, and DA Dixon. 2009. "Structural and Electronic Properties of Reduced Transition Metal Oxide Clusters, M3O8 and M3O8? (M = Cr, W), from Photoelectron Spectroscopy and Quantum Chemical Calculations." Journal of Physical Chemistry A 113(42):11273-11288.  doi:10.1021/jp9082008

Lin SSY, DH Kim, and SY Ha. 2009. "Metallic phases of cobalt-based catalysts in ethanol steam reforming: The effect of cerium oxide." Applied Catalysis. A, General 355(1-2):69-77. 

Lin W, WC Pringle, SE Novick, and TA Blake. 2009. "Microwave Spectrum of the Argon-Tropolone van der Waals Complex." Journal of Physical Chemistry A 113(47):13076-13080. 

Maerzke KA, G Murdachaew, CJ Mundy, GK Schenter, and JI Siepmann. 2009. "Self-consistent polarization density functional theory: Application to Argon." Journal of Physical Chemistry A 113(10):2075-2085.  doi:10.1021/jp808767y

Maerzke KA, MJ McGrath, IFW Kuo, G Tabacchi, JI Siepmann, and CJ Mundy. 2009. "Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential ." Chemical Physics Letters 479(1-3):60-64. 

Maki A, T Masiello, TA Blake, JW Nibler, and A Weber. 2009. "On the Determination of C0 (or A0), D0K, H0K, and Some Dark States for Symmetric-top Molecules from Infrared Spectra without the Need for Localized Perturbations." Journal of Molecular Spectroscopy 255(1):56-62. 

McGrail BP, HT Schaef, VA Glezakou, LX Dang, and AT Owen. 2009. "Water Reactivity in the Liquid and Supercritical CO2 Phase: Has Half the Story Been Neglected?" Energy Procedia 1(1):3415-3419.  doi:10.1016/j.egypro.2009.02.131

Mielke SL, D Schwenke, GC Schatz, BC Garrett, and KA Peterson. 2009. "Functional Representation for the Born-Oppenheimer Diagonal Correction and Born-Huang Adiabatic Potential Energy Surfaces for Isotopomers of H3." Journal of Physical Chemistry A 113(16):4479-4488. 

Milbrath BD, JA Caggiano, MH Engelhard, AG Joly, DW Matson, P Nachimuthu, and LC Olsen. 2009. " Using Thin Films to Screen Possible Scintillator Materials ." IEEE Transactions on Nuclear Science 56(3, PT 3): 1650-1654. 

Mock MT, RG Potter, DM Camaioni, J Li, WG Dougherty, WS Kassel, B Twamley, and DL DuBois. 2009. "Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds ." Journal of the American Chemical Society 131(40):14454-14465. 

Nachimuthu P, YJ Kim, SVNT Kuchibhatla, Z Yu, W Jiang, MH Engelhard, V Shutthanandan, J Szanyi, and S Thevuthasan. 2009. "Growth and characterization of barium oxide nanoclusters on YSZ(111)." Journal of Physical Chemistry C 113(32):14324-14328.  doi:10.1021/jp9020068

O'Hara MJ, SR Burge, and JW Grate. 2009. "Automated radioanalytical system for the determination of Sr-90 in environmental water samples by Y-90 Cherenkov radiation counting." Analytical Chemistry 81(3):1228-1237. 

O'Hara MJ, SR Burge, and JW Grate. 2009. "Quantification of Technetium-99 in Complex Groundwater Matrixes using a Radiometric Preconcentrating Minicolumn Sensor in an Equilibration-based Sensing Approach." Analytical Chemistry 81(3):1068-1078. 

Ohsawa T, I Lyubinetsky, Y Du, MA Henderson, V Shutthanandan, and SA Chambers. 2009. "Crystallographic Dependence of Visible-light Photoactivity in Epitaxial TiO2-xNx Anatase and Rutile." Physical Review. B, Condensed Matter and Materials Physics 79(8):Article number: 085401.  doi:10.1103/PhysRevB.79.085401

Ohsawa T, I Lyubinetsky, Y Du, MA Henderson, V Shutthanandan, and SA Chambers. 2009. "Crystallographic Dependence of Visible-Light Photochemistry in Epitaxial TiO2-xNx Anatase and Rutile." Physical Review. B, Condensed Matter and Materials Physics 79(8):Art. No. 085401. 

Orr G, DJ Panther, KJ Cassens, JL Phillips, BJ Tarasevich, and JG Pounds. 2009. "Syndecan-1 Mediates the Coupling of Positively Charged Submicrometer Amorphous Silica Particles with Actin Filaments across the Alveolar Epithelial Cell Membrane." Toxicology and Applied Pharmacology 236(2):210-220.  doi:10.1016/j.taap.2009.01.022

Osborn W, T Markmaitree, LD Shaw, JZ Hu, JH Kwak, and Z Yang. 2009. "Low Temperature Milling of the LiNH2 + LiH Hydrogen Storage System." International Journal of Hydrogen Energy 34(10):4331-4339.  doi:10.1016/j.ijhydene.2009.03.032

Osborn W, T Markmaitree, LD Shaw, R Ren, JZ Hu, JH Kwak, and Z Yang. 2009. "Solid-State Hydrogen Storage: Storage Capacity,Thermodynamics and Kinetics." JOM. The Journal of the Minerals, Metals and Materials Society 61(4):45-51. 

Paesani F, SS Xantheas, and GA Voth. 2009. "Infrared Spectroscopy and Hydrogen-Bond Dynamics of Liquid Water from Centroid Molecular Dynamics with an Ab Initio-Based Force Field." Journal of Physical Chemistry B 113(39):13118-13130. 

Paolone A, O Palumbo, P Rispoli, R Cantelli, and T Autrey. 2009. "Hydrogen dynamics and characterization of the tetragonal-to-orthorhombic phase transformation in ammonia borane." Journal of Physical Chemistry C 113(14):5872-5878. 

Paolone A, O Palumbo, P Rispoli, R Cantelli, T Autrey, and AJ Karkamkar. 2009. "Absence of the structural phase transition in ammonia borane dispersed in mesoporous silica: evidence of novel thermodynamic properties ." Journal of Physical Chemistry C 113(24):10319-10321. 

Parkinson GS, YK Kim, Z Dohnalek, RS Smith, and BD Kay. 2009. "Reactivity of Fe-0 atoms and clusters with D2O over FeO(111)." Journal of Physical Chemistry C 113(2):4960-4969. 

Parkinson GS, Z Dohnalek, RS Smith, and BD Kay. 2009. "Reactivity of C2Cl6 and C2Cl4 multilayers with Fe0 atoms over FeO(111)." Journal of Physical Chemistry C 113(23):10233-10241. 

Parkinson GS, Z Dohnalek, RS Smith, and BD Kay. 2009. "Reactivity of Fe-0 Atoms, Clusters, and Nanoparticles with CC14 Multilayers on FeO(111)." Journal of Physical Chemistry C 113(5):1818-1829. 

Petrik NG, Z Zhang, Y Du, Z Dohnalek, I Lyubinetsky, and GA Kimmel. 2009. "Chemical Reactivity of Reduced TiO2(110): The dominant role of surface defects in oxygen chemisorption." Journal of Physical Chemistry C 113(28):12407-12411.  doi:10.1021/jp901989x

Pierce EM, MD Freshley, SS Hubbard, BB Looney, JM Zachara, L Liang, D Lesmes, GM Chamberlain, KL Skubal, V Adams, ME Denham, and DM Wellman. 2009. Scientific Opportunity to Reduce Risk in Groundwater and Soil RemediationPNNL-18516, Pacific Northwest National Laboratory, Richland, WA. 

Pons V, RT Baker, NK Szymczak, DJ Heldebrant, JC Linehan, MH Matus, DJ Grant, and DA Dixon. 2009. "Coordination of aminoborane, NH2BH2, dictates selectivity and extent of H2 release in metal-catalysed ammonia borane dehydrogenation." Chemical Communications 48: 6597-6599.  doi:10.1039/b809190k

Pool DH, and DL DuBois. 2009. "[Ni(PPh2NAr2)2(NCMe)][BF4]2 as an electrocatalyst for H2 production: PPh2NAr2 = 1,5-(di(4-(thiophene-3-yl)phenyl)-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane)." Journal of Organometallic Chemistry 694(17):2858-2865. 

Rakowski DuBois M, and DL DuBois. 2009. "Development of Molecular Electrocatalysts for CO2 Reduction and H2 Production/Oxidation." Accounts of Chemical Research 42(12):1974-1982. 

Sanchez R, M Zakova, Z Andejelkovic, BA Bushaw, K Dasgupta, G Ewald, CH Geppert, HJ Kluge, J Kramer, M Nothhelfer, D Tiedemann, DF Winters, and W Nortershauser. 2009. "Absolute frequency measurements on the 2S --> 3S transition of lithium-6,7." New Journal of Physics 11(Article number: 073016):,

Schlaf M, P Ghosh, PJ Fagan, E Hauptman, and RM Bullock. 2009. "Catalytic Deoxygenation of 1,2-Propanediol to Give n-Propanol ." Advanced Synthesis & Catalysis 351(5):789-800. 

Schmidt J, J VandeVondele, IFW Kuo, D Sebastiani, JL Siepmann, hutter, and CJ Mundy. 2009. "Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions." Journal of Physical Chemistry B 113(35):11959-11964. 

She X, M Flytzani-Stephanopoulos, CM Wang, Y Wang, and CHF Peden. 2009. "SO2-induced stability of Ag-alumina catalysts in the SCR of NO with methane." Applied Catalysis. B, Environmental 88(1-2):98-105. 

Shi L, D Richardson, Z Wang, SN Kerisit, KM Rosso, JM Zachara, and JK Fredrickson. 2009. "The Roles of Outer Membrane Cytochromes of Shewanella and Geobacter in Extracellular Electron Transfer." Environmental Microbiology Reports 1(4):220-227.  doi:10.1111/j.1758-2229.2009.00035.x

Shi Z, C Liu, JM Zachara, Z Wang, and B Deng. 2009. "Inhibition Effect of Secondary Phosphate Mineral Precipitation on Uranium Release from Contaminated Sediments." Environmental Science & Technology 43(21):8344-8349.  doi:10.1021/es9021359

Siu CK, J Zhao, J Laskin, IK Chu, AC Hopkinson, and KWM Siu . 2009. "Kinetics for Tautomerizations and Dissociations of Triglycine Radical Cations." Journal of the American Society for Mass Spectrometry 20(6):996-1005. 

Smith JS, A Laskin, and J Laskin. 2009. "Molecular Characterization of Biomass Burning Aerosols Using High Resolution Mass Spectrometry." Analytical Chemistry 81(4):1512-1521.  doi:10.1021/ac8020664

Smith RS, T Zubkov, Z Dohnalek, and BD Kay. 2009. "The Effect of the Incident Collision Energy on the Porosity of Vapor Deposited Amorphous Solid Water Films." Journal of Physical Chemistry B 113(13):4000-4007. 

Song T, C Lam, DC Ng, G Orlova, J Laskin, DC Fang, and IK Chu. 2009. "Experimental and Computational Studies of the Macrocyclic Effect of an Auxiliary Ligand on Electron and Proton Transfers Within Ternary Copper(II)-Histidine Complexes ." Journal of the American Society for Mass Spectrometry 20(6):972-984. 

Spraggins JM, JA Lloyd, MV Johnston, J Laskin, and DP Ridge. 2009. "Fragmentation Mechanisms of Oxidized Peptides Elucidated by SID, RRKM Modeling and Molecular Dynamics." Journal of the American Society for Mass Spectrometry 20(9):1579-1592.  doi:10.1016/j.jasms.2009.04.012

Stubbs JE, LA Veblen, D Elbert, JM Zachara, JA Davis, and DR Veblen. 2009. "Newly recognized hosts for uranium in the Hanford Site vadose zone." Geochimica et Cosmochimica Acta 73(6):1563-1576. 

Sun X, S Yoo, SS Xantheas, and LX Dang. 2009. "The Reorientation Mechanism of Hydroxide Ions in Water: A Molecular Dynamics Study." Chemical Physics Letters 481(1-3):9-16. 

Sun ZM, YF Zhao, J Li, and LS Wang. 2009. "Diversity of Functionalized Germanium Zintl Clusters: Syntheses and Theoretical Studies of [Ge9PdPPh3]3- and [Ni@(Ge9PdPPh3)]2-." Journal of Cluster Science 20(3):601-609.  doi:10.1007/s10876-009-0266-1

Tarasevich BJ, AS Lea, W Bernt, MH Engelhard, and WJ Shaw. 2009. "Changes in the quate