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Physical Sciences Division

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Publications

2025

Šedajová V., M. Kim, R. Langer, G. Kumar, L. Liu, Z. Badura, and J.V. Haag, et al. 2025. 2D Nitrogen-Doped Graphene Materials for Noble Gas Separation. Small 21, no. 6:rt. No. 2408525. PNNL-SA-194350. doi:10.1002/smll.202570045Abboud A.W., D. Guillen, M.A. Hall, T. Jin, E.T. Nienhuis-Marcial, J.M. Amoroso, and W. Li, et al. 2025. Computational Fluid Dynamics Simulations of Glass Vitrification Refractory Coupon Tests. In Waste Management Symposium (WM2023): Planning for the Future: Innovation, Transformation, Sustainability. February 26-March 2, 2023, Phoenix, AZ, 1, 269-283. Tempe, Arizona:Waste Management Symposia, Inc. PNNL-SA-181309. Al Harraq A., R. Patel, J. Lee, O. Owoyele, J. Chun, and B. Bharti. 2025. Non-Reciprocity, Metastability, and Dynamic Reconfiguration in Co-Assembly of Active and Passive Particles. Advanced Science 12, no. 4:Art No. 2409489. PNNL-SA-189933. doi:10.1002/advs.202409489Bilbrey J.A., J.S. Firoz, M. Lee, and S. Choudhury. 2025. Uncertainty Quantification for Neural Network Potential Foundation Models. npj Computational Materials 11, no. 1:Art. No. 109. PNNL-SA-206884. doi:10.1038/s41524-025-01572-yChen Y., M. Nguyen, J. Yao, K. Han, S. Ravula, E.D. Walter, and J.D. Bazak, et al. 2025. CO2 in Ionene–Ionic Liquid Composite Membranes. Advanced Sustainable Systems 9, no. 4:Art No. 2400802. PNNL-SA-204336. doi:10.1002/adsu.202400802Chukwu K.C., and L. Arnadottir. 2025. Effects of co-adsorbed water on different bond cleavages involved in acetic acid decomposition on Pt (111). Surface Science 756:122721. PNNL-SA-208494. doi:10.1016/j.susc.2025.122721Das D., F. Sanchez Escobar, P. Gaurav, N. Herbort, F.S. Manciu, V. Shutthanandan, and C. Ramana. 2025. Effect of Thermal Oxidation on the Structure, Surface Texturing, and Microstructure Evolution in Nanocrystalline Ga-O-N Films. Advanced Materials Interfaces 12, no. 5:Art. No. 2400500. PNNL-SA-199910. doi:10.1002/admi.202400500De C., Y. Liu, S. Ayyagari, B. Zheng, K. Kelley, S. Hazra, and J. He, et al. 2025. Discovery of a layered multiferroic compound Cu1-xMn1+ySiTe3 with strong magnetoelectric coupling. Science Advances 11, no. 1:eadp9379. PNNL-SA-198539. doi:10.1126/sciadv.adp9379Genc A., J. Marlowe, A. Jalil, D. Belzberg, L. Kovarik, and P. Christopher. 2025. A versatile machine learning workflow for high-throughput analysis of supported metal catalyst particles. Ultramicroscopy 271, no. _:Art. No. 114116. PNNL-SA-208947. doi:10.1016/j.ultramic.2025.114116Guo D., Y. Sheng, O. Baars, O. Duckworth, P. Chen, Z. Zhu, and X. Zhang, et al. 2025. Contrasting Effects of Catecholate and Hydroxamate Siderophores on Molybdenite Dissolution. Environment Science and Technology 59, no. 1:533–544. PNNL-SA-206647. doi:10.1021/acs.est.4c11212Hagos S.M., Z. Feng, A.C. Varble, S. Tai, and J. Chen. 2025. The impacts of rotational mixing on the precipitation simulated by a convection permitting model. Journal of Advances in Modeling Earth Systems 17, no. 5:Art. No. e2024MS004524. PNNL-SA-200001. doi:10.1029/2024MS004524Heo J., P. Butreddy, G.K. Schenter, C.J. Mundy, J.J. De Yoreo, E. Nakouzi, and J. Lee, et al. 2025. Colloidal phenomena reflect the interplay between interfacial solution structure, interparticle forces, and dynamical response. Current Opinion in Colloid & Interface Science 75, no. _:Art. 101887. PNNL-SA-199548. doi:10.1016/j.cocis.2024.101887Jackson B.A., E. Miliordos, and M. Lee. 2025. Theoretical prediction of materials with diffuse electrons with possible applications in redox catalysis and quantum computing. Materials Today Sustainability 29. PNNL-SA-197857. doi:10.1016/j.mtsust.2024.101052Jia H., B.G. Broekhuis, Y. Xu, Z. Yang, D.J. Kautz, L. Zhong, and M.H. Engelhard, et al. 2025. Rational Electrolyte Design for Elevated-Temperature and Thermally Stable Lithium-Ion Batteries with Nickel-Rich Cathodes. ACS Applied Materials & Interfaces 17, no. 4:6260-6270. PNNL-SA-202615. doi:10.1021/acsami.4c17629Joll K., P. Schienbein, K.M. Rosso, and J. Blumberger. 2025. Mechanism of Fe(II) Chemisorption on Hematite(001) Revealed by Reactive Neural Network Potential Molecular Dynamics. The Journal of Physical Chemistry Letters 16, no. 4:848–856. PNNL-SA-207725. doi:10.1021/acs.jpclett.4c03252Kaspar T.C., S.M. Akers, H.W. Sprueill, A.H. Ter-Petrosyan, J.A. Bilbrey, D.F. Hopkins, and A.V. Harilal, et al. 2025. Machine-learning-enabled on-the-fly analysis of RHEED patterns during thin film deposition by molecular beam epitaxy. Journal of Vacuum Science & Technology A: International Journal Devoted to Vacuum, Surfaces, and Films 43, no. 3:Art. No. 032702. PNNL-SA-206700. doi:10.1116/6.0004493LaCount M.D., T. Prozorov, and S.M. Kathmann. 2025. Rare Earth Selectivity and Electric Potentials at Mica Interfaces. ACS Applied Materials & Interfaces 17, no. 4:7036–7042. PNNL-SA-201975. doi:10.1021/acsami.4c13262Lata N., Z. Cheng, D.N. Dexheimer, S. Mathai, M.A. Marcus, K.A. Pratt, and S. Thevuthasan, et al. 2025. Vertical Gradient in Atmospheric Particle Phase State: A Case Study Over the Alaskan Arctic Oil Fields. Environmental Science: Atmospheres 5, no. 4:415-428. PNNL-SA-206143. doi:10.1039/D4EA00150HLee A.A., Y. Qiao, Y. Shin, E.K. Nickerson, and K.L. Simmons. 2025. Multiple-Repeated Plasma Surface Treatments for Significantly Improving Bonding Performance of Metal-Carbon-Fiber-Reinforced Thermoplastic Polymer Dissimilar Adhesive Joints. Advanced Engineering Materials 27, no. 9:Art No. 2402693. PNNL-SA-202053. doi:10.1002/adem.202402693Li L., D. Garcia, T. Wang, J.D. Escobar, M. Pole, K. Nwe, and D.M. Brown, et al. 2025. Meshfree simulation and prediction of recrystallized grain size in friction stir processed 316L stainless steel. Journal of Materials Processing Technology 337. PNNL-SA-205212. doi:10.1016/j.jmatprotec.2025.118751Li X., X. Yin, N.O. Wiebe, J. Chun, G.K. Schenter, M.S. Cheung, and J.H. Muelmenstaedt. 2025. Potential quantum advantage for simulation of fluid dynamics. Physical Review Research 7, no. 1:Art. No. 013036. PNNL-SA-181572. doi:10.1103/PhysRevResearch.7.013036Mahapatra M., M.A. Sharp, C.J. Lee, Y. Zhu, O.Y. Gutierrez Tinoco, B.D. Kay, and Z. Dohnalek. 2025. The evolution of model Rh/Fe3O4(001) catalysts in hydrogen environments. Surface Science 751, no. _:Art No. 122617. PNNL-SA-201622. doi:10.1016/j.susc.2024.122617McCutchin C.A., K.J. Edgar, C. Chen, P.M. Dove, and P.M. Dove. 2025. Silica-Biomacromolecule Interactions: Toward a Mechanistic Understanding of Silicification. Biomacromolecules 26, no. 1:43–84. PNNL-SA-203248. doi:10.1021/acs.biomac.4c00674Mohammed S., Z. Li, K. Orikasa, A. Devaraj, D. Garcia, R. Sarvesha, and A. Lama, et al. 2025. Neutron Radiation Induced Transmutation of Boron to Lithium in Aluminum-Boron Nitride Composite. Materials Today Advances 25, no. _:Art No. 100551. PNNL-SA-203505. doi:10.1016/j.mtadv.2024.100551Nambafu G.S., A.M. Hollas, P.S. Rice, J.M. Weller, D. Boglaienko, D.M. Reed, and V.L. Sprenkle, et al. 2025. Strategically modified ligand incorporating mixed phosphonate and carboxylate groups to enhance performance in all-iron redox flow batteries. Advanced Energy Materials 15, no. 1:Art. No. 2403149. PNNL-SA-196533. doi:10.1002/aenm.202403149Olszta M.J., R.J. Seffens, T.J. Roosendaal, K. Kruska, G.M. Schuler, V. Prabhakaran, and A.L. Schemer-Kohrn, et al. 2025. Mitigate Stress Corrosion Cracking (SCC) in High-strength Al Castings (CRADA 508) Richland, WA: Pacific Northwest National Laboratory. PNNL-37700Patrick E.A., J.D. Erickson, R.M. Bullock, and B.L. Tran. 2025. Synthesis and Structural Investigation of Rigid Naphthyridine-bis(carbene) for Trigonal Planar Coordination of Coinage Metals. Organometallics 44, no. 2:373–384. PNNL-SA-203466. doi:10.1021/acs.organomet.4c00383Pole M., S. Mukhopadhyay, S. Kastamo, A. Loukus, J. Choi, M.J. Olszta, and D.R. Herling, et al. 2025. Tribological Behavior of Hybrid Aluminum-TiB2 Metal Matrix Composites for Brake Rotor Applications. Wear 562-563, no. _:Art No. 205639. PNNL-SA-197794. doi:10.1016/j.wear.2024.205639Prange M.P., D. Boglaienko, S.T. Mergelsberg, and S.N. Kerisit. 2025. Affinity for OH- Produces Four-coordinated Zn2+ Impurities in Hydrated Amorphous Calcium Carbonate. Inorganic Chemistry 64, no. 4:1843–1852. PNNL-SA-204304. doi:10.1021/acs.inorgchem.4c04525Prange M.P., N. Govind, P. Stinis, E.S. Ilton, and A.A. Howard. 2025. Toward a Machine Learning Approach to Interpreting X-ray Spectra of Trace Impurities by Converting XANES to EXAFS. Journal of Physical Chemistry 129, no. 1:346-355. PNNL-SA-189580. doi:10.1021/acs.jpca.4c05612Rigby J.C., J. Marcial, R. Pokorny, J. Klouzek, J. Klouzek, K. Han, and N.M. Washton, et al. 2025. Boron Nitride: Novel ceramic reductant for low-activity waste vitrification. Journal of the American Ceramic Society 108, no. 2:Art No. e20192. PNNL-SA-193254. doi:10.1111/jace.20192Shen X., X. Zheng, and I.C. Bourg. 2025. A coarse-grained model of clay colloidal aggregation and consolidation with explicit representation of the electrical double layer. Journal of Colloid and Interface Science 683, no. Part 1:1188-1196. PNNL-SA-196865. doi:10.1016/j.jcis.2024.12.053Shi B., J. Gim, T. Li, K. Koirala, C. Wang, D. Hou, and Y. Liu, et al. 2025. Topotactic Phase Transformation of Lithiated Spinel to Layered LiMn0.5Ni0.5O2: The Interaction of 3-D and 2-D Li-ion Diffusion. Journal of Materials Chemistry A 13, no. 2:1191-1200. PNNL-SA-203269. doi:10.1039/d4ta06238hShin S., T. Hartmann, I.J. van Rooyen, and P.K. Thallapally. 2025. Fast extraction of nickel from aqueous media by using ionic metal-organic frameworks. Journal of Coordination Chemistry 77, no. 22-24:2818-2829. PNNL-SA-201792. doi:10.1080/00958972.2024.2445208Shin Y., Y. Qiao, E.K. Nickerson, A.A. Trevino, M. Gilliam, G. Garner, and M. Lukitsch, et al. 2025. Functional group activation and coupling agent migration induced by plasma treatment in adhesive for enhanced toughness of metal-composite joints. Progress in Organic Coatings 200, no. _:Art No. 109050. PNNL-SA-204316. doi:10.1016/j.porgcoat.2024.109050Speelman R., E. Marker, M.D. Boamah-Agyemang, J. Kupferberg, J. Bye, M.H. Engelhard, and Y. Zhao, et al. 2025. Water Flipping and the Oxygen Evolution Reaction on Fe2O3 Nanolayers. Nature Communications 16:Art. No. 3585. PNNL-SA-208608. doi:10.1038/s41467-025-58842-yTaylor S.D., J. Cliff, T.W. Wietsma, and K.M. Rosso. 2025. Facet-dependent growth and dissolution of hematite resulting from autocatalytic interactions with Fe(II) and oxalic acid. Environmental Science Nano 12, no. 3:1979-1992. PNNL-SA-207577. doi:10.1039/D4EN01004CTeng F., H. Zhang, D. Nykypanchuk, R. Li, L. Yang, N. Tiwale, and Z. Xi, et al. 2025. Macroscale-Area Patterning of Three-Dimensional DNA-Programmable Frameworks. Nature Communications 16:Art. No. 3238. PNNL-SA-207274. doi:10.1038/s41467-025-58422-0Tse P., N.P. Bessen, A.F. Espley, H.M. Felmy, H.E. Lackey, R.R. Rodrigues, and A.H. Parekh, et al. 2025. Spectroscopic Online Monitoring: Using a Multi-Track Visible Spectrometer to Facilitate a Mass Balance Study in a Simulated TALSPEAK Process. ACS Omega 10, no. 12:11796-1180. PNNL-SA-199491. doi:10.1021/acsomega.4c07704Varga T., R.K. Kukkadapu, L. Kovarik, A. Dohnalkova, Q. Zhao, M.H. Engelhard, and S. China, et al. 2025. The role of Ca-bridged organic matter in an alkaline soil, as revealed by multimodal chemical imaging. Geoderma 456. PNNL-SA-200979. doi:10.1016/j.geoderma.2025.117256Zhang D., V. Glezakou, and R.J. Rousseau. 2025. Sulfonated polybenzimidazole membrane with graphene oxide additive for 2,3-butanediol/water separation: A molecular simulation. Journal of Membrane Science 713, no. _:Art No. 123312. PNNL-SA-171810. doi:10.1016/j.memsci.2024.123312Zheng X., X. Shen, and I.C. Bourg. 2025. Coarse-grained simulation of colloidal self-assembly, cation exchange, and rheology in Na/Ca smectite clay gels. Journal of Colloid and Interface Science 693:Art. No. 137573. PNNL-SA-206837. doi:10.1016/j.jcis.2025.137573

2024

Ahmed R.A., K. Koirala, G. Lee, T. Li, Q. Zhao, Y. Fu, and L. Zhong, et al. 2024. Enhanced Electrochemical Performance of Disordered Rocksalt Cathodes in a Localized High-Concentration Electrolyte. Advanced Energy Materials 14, no. 27:Art. No. 2400722. PNNL-SA-194465. doi:10.1002/aenm.202400722Ahmed R.A., K. Koirala, Q. Zhao, J. Kim, C.S. Anderson, C. Wang, and J. Zhang, et al. 2024. Surface-Treated Composite Polymer as a Stable Artificial Solid Electrolyte Interphase Layer for Lithium Metal Anodes. ACS Applied Energy Materials 7, no. 24:12084-12091. PNNL-SA-198491. doi:10.1021/acsaem.4c02591Ahmed R.A., K.V. Carballo, K. Koirala, Q. Zhao, P. Gao, J. Kim, and C.S. Anderson, et al. 2024. Lithicone-Protected Lithium Metal Anodes for Lithium Metal Batteries with Nickel-Rich Cathode Materials. Small Structures 5, no. 11:Art. No. 2400174. PNNL-SA-194098. doi:10.1002/sstr.202400174Ananth N., S. Bu, N. London, and B.A. Johnson. 2024. Mean-Field Ring Polymer Rates Using a Population Dividing Surface. Journal of Physical Chemistry A 128, no. 28:5730 - 5739. PNNL-SA-196276. doi:10.1021/acs.jpca.4c00005Andana T., K.G. Rappe, F. Gao, and Y. Wang. 2024. Mitigated ammonium nitrate inhibition in SCR over Cu-SSZ-13 + Ce/Mn-oxide composite catalysts: insights from temperature-programmed desorption analysis. Catalysis Science & Technology 14, no. 8:2178-2191. PNNL-SA-194297. doi:10.1039/D4CY00062EAng J.A., G. Carini, Y. Chen, I. Chuang, M.A. Demarco, S. Economou, and A. Eickbusch, et al. 2024. ARQUIN : Architectures for Multinode Superconducting Quantum Computers. ACM Transactions on Quantum Computing 5, no. 3:Art. No. 19. PNNL-SA-189729. doi:10.1145/3674151Appel A.M., and J.Y. Yang. 2024. Maximum and Comparative Efficiency Calculations for Integrated Capture and Electrochemical Conversion CO2. ACS Energy Letters 9, no. 2:768-770. PNNL-SA-192746. doi:10.1021/acsenergylett.3c02489Arnquist I.J., F.T. Avignone, A.S. Barabash, C.J. Barton, K.H. Bhimani, E. Blalock, and B. Bos, et al. 2024. Assay-based background projection for the Majorana Demonstrator using Monte Carlo Uncertainty Propagation. Physical Review C 110, no. 5:Art. No. 055804. PNNL-SA-189738. doi:10.1103/PhysRevC.110.055804Arnquist I.J., F.T. Avignone, A.S. Barabash, C.J. Barton, K.H. Bhimani, E. Blalock, and B. Bos, et al. 2024. Exotic dark matter search with the Majorana Demonstrator. Physical Review Letters 132, no. 4:Art. No. 041001. PNNL-SA-173103. doi:10.1103/PhysRevLett.132.041001Arnquist I.J., F.T. Avignone, A.S. Barabash, C.J. Barton, K.H. Bhimani, E. Blalock, and B. Bos, et al. 2024. Search for charge non-conservation and Pauli exclusion principle violation with the Majorana Demonstrator. Nature Physics 20, no. 7:1078–1083. PNNL-SA-173089. doi:10.1038/s41567-024-02437-9Arteaga A.L., T.A. Arino, G.C. Moore, J. Bustos, M. Horton, K.A. Persson, and J. Li, et al. 2024. The Role of Alkalis in Orchestrating Uranyl-Peroxide Reactivity Leading to Direct Air Capture of Carbon Dioxide. Chemistry - A European Journal 30, no. 27:Art. No. e202301687. PNNL-SA-176781. doi:10.1002/chem.202301687Asmussen R.M., A.M. Westesen, C. Alvarez, R.A. Peterson, E. Cordova, H.M. Cho, and S.D. Branch, et al. 2024. The Simultaneous Removal of Technetium and Iodine from Hanford Tank Waste. Chemical Engineering Journal 490, no. _:Art. No. 151449. PNNL-SA-189635. doi:10.1016/j.cej.2024.151449Bagus P., C.J. Nelin, S.T. Mergelsberg, N. Lahiri, and E.S. Ilton. 2024. Chemical Information From XPS: Theory and Experiment For Ni(OH)2. The Journal of Chemical Physics 161, no. 16:Art. No. 164701. PNNL-SA-201475. doi:10.1063/5.0229962Ballor J., J. Poplawsky, A. Devaraj, S. Misture, and C. Boehlert. 2024. Lattice parameter evolution during the ß-to-a and ß-to-w transformations of iron- and aluminum-modified Ti-11Cr(at.%). Crystals 14, no. 2:Art. No. 145. PNNL-SA-198723. doi:10.3390/cryst14020145Barakati K., H. Yuan, A. Goyal, and S.V. Kalinin. 2024. JOINT APPOINTEE: Physics-based reward driven image analysis in microscopy. Applied Physics Letters 3, no. 10:2061-2069. PNNL-SA-198460. doi:10.1039/D4DD00132JBard A.B., G.R. Feslted, A.S. Ganas, A. Pant, C. Gupta, Y. Chen, and E. Nakouzi, et al. 2024. Chemically Driven Multistep Crystallization in the Synthesis of Sodium Yttrium Fluoride Via a Porous, Electrochemically Active Intermediate. Journal of Physical Chemistry C 128, no. 31:13034–13044. PNNL-SA-167077. doi:10.1021/acs.jpcc.4c01281Bartels M.F., Q. Miller, R. Cao, N. Lahiri, J.E. Holliman, C.H. Stanfield, and H.T. Schaef. 2024. Parts-Per-Million Carbonate Mineral Quantification with Thermogravimetric Analysis-Mass Spectrometry. Analytical Chemistry 96, no. 11:4385–4393. PNNL-SA-189663. doi:10.1021/acs.analchem.3c03936Bathena T., T. Phung, V. Murugesan, K. Goulas, A.S. Karakoti, and K. Kallupalayam Ramasamy. 2024. 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2018

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2016

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Pd overlayer on Oxygen pre-covered Graphene/Ru(0001): Thermal Stability. Surface Science 648. PNNL-SA-111474. doi:10.1016/j.susc.2015.12.018Yu X., Z. Zhang, C. Yang, F. Bebensee, S. Heibler, A. Nefedov, and M. Tang, et al. 2016. Interaction of Formaldehyde with the Rutile TiO2(110) Surface: A Combined Experimental and Theoretical Study. Journal of Physical Chemistry C 120, no. 23:12626-12636. PNNL-SA-116863. doi:10.1021/acs.jpcc.6b03689Yu Y., A.Y. Nikiforov, T.C. Kaspar, J.C. Woicik, K.F. Ludwig, S. Gopalan, and U.B. Pal, et al. 2016. Chemical characterization of surface precipitates in La0.7Sr0.3Co0.2Fe0.8O3-d as cathode material for solid oxide fuel cells. Journal of Power Sources 333. PNNL-SA-117794. doi:10.1016/j.jpowsour.2016.09.166Yu Y., K.F. Ludwig, J.C. Woicik, S. Gopalan, U.B. Pal, T.C. Kaspar, and S.N. Basu. 2016. Effect of Sr Content and Strain on Sr Surface Segregation of La1-xSrxCo0.2Fe0.8O3-delta as Cathode Material for Solid Oxide Fuel Cells. 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2015

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2013

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An integrated electrochemical device based on immunochromatographic test strip and enzyme labels for sensitive detection of disease-related biomarkers. Talanta 94. PNNL-SA-87212.

2011

Aalseth C.E., E. Aguayo Navarrete, M. Amman, F.T. Avignone, H.O. Back, X. Bai, and A.S. Barabash, et al. 2011. The Majorana Experiment. Nuclear Physics. B, Proceedings Supplement 217, no. 1:44-46. PNNL-SA-87226. doi:10.1016/j.nuclphysbps.2011.04.063Aalseth C.E., M. Amman, F.T. Avignone, H.O. Back, A.S. Barabash, P.S. Barbeau, and M. Bergevin, et al. 2011. Astroparticle physics with a customized low-background broad energy Germanium detector. Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 652, no. 1:692-695. PNNL-SA-87163. doi:10.1016/j.nima.2010.08.100Aguayo E., J.E. Fast, E.W. Hoppe, M.E. Keillor, J.D. Kephart, R.T. Kouzes, and B.D. LaFerriere, et al. 2011. The Majorana Demonstrator. In Proceedings of the Meeting of the Division of Particles and Fields of the American Physical Society (DPF-2011), August 9-13, 2011, Providence, Rhode Island, edited by T Speer. College Park, Maryland:American Physical Society. PNNL-SA-102130. Aguayo E., R.T. Kouzes, and J.L. Orrell. 2011. Simulations for Tracking Cosmogenic Activation in Germanium and Copper. In IEEE Nuclear Science Symposium and Medical Imaging Conference (NSS/MIC 2011), October 23-29, 2011, Valencia, Spain, 1-4. Piscataway, New Jersey:IEEE. PNNL-SA-83716. doi:10.1109/NSSMIC.2011.7245316Aguayo Navarrete E., F.T. Avignone, H.O. Back, A.S. Barabash, M. Bergevin, M. Bergevin, and F. Bertrand, et al. 2011. The MAJORANA Experiment. In AIP Conference Proceedings: Workshop on Calculation of Double-Beta-Decay Matrix Elements (MEDEX `11), June 13-16, 2011, Prague, Czech Republic, 1417. Melville, New York:American Institute of Physics. PNNL-SA-87225. doi:10.1063/1.3671044Aguirre B., R.S. Vemuri, D. Zubia, M.H. Engelhard, V. Shutthanandan, K. Kamala Bharathi, and C.V. Ramana. 2011. Growth, microstructure and electrical properties of sputter-deposited hafnium oxide (HfO2) thin films grown using HfO2 ceramic target. Applied Surface Science 257, no. 6:2197-2202. PNNL-SA-68662. doi:10.1016/j.apsusc.2010.09.072Ali N., S. Krishnamoorthy, N. Govind, and B.J. Palmer. 2011. A Redundant Communication Approach to Scalable Fault Tolerance in PGAS Programming Models. In Proceedings of the19th Euromicro International Conference on Parallel, Distributed and Network-Based Processing (PDP 2011), February 9-11, 2011, Ayia Napa, Cyprus, 24-31. Los Alamitos, California:IEEE Computer Society. PNNL-SA-75835. Ali N., S. Krishnamoorthy, N. Govind, K. Kowalski, and P. Sadayappan. 2011. Application-Specific Fault Tolerance via Data Access Characterization. In Proceedings of the 17th International European Conference on Parallel and Distributed Computing, (Euro-Par 2011), August 29-September 2, 2011, Bordeaux, France. Lecture Notes in Computer Science, edited by E Jeannot, R Namyst and J Roman, 6853, 340-352. Berlin:Springer-Verlag. PNNL-SA-79368. doi:10.1007/978-3-642-23397-5Allian A.D., K. Takanabe, K.L. Fujdala, X. Hao, T.J. Truex, J. Cai, and C. Buda, et al. 2011. Chemisorption of CO and Mechanism of CO Oxidation on Supported Platinum Nanoclusters. Journal of the American Chemical Society 133, no. 12:4498-4517. doi:10.1021/ja110073uAndersen A., N. Govind, and L. Subramanian. 2011. Theoretical Study of the Mechanism Behind the para-Selective Nitration of Toluene in Zeolite H-Beta. In Industrial Applications of Molecular Simulations, edited by Marc Meunier. 1-22. Boca Raton, Florida:CRC Press. PNNL-SA-76439. Andersen A., S.M. Kathmann, M.A. Lilga, K.O. Albrecht, R.T. Hallen, and D. Mei. 2011. Adsorption of Potassium on the MoS2(100) Surface: A First-Principles Investigation. Journal of Physical Chemistry C 115, no. 18:9025-9040. PNNL-SA-75323. doi:10.1021/jp110069rAppel A.M., D.H. Pool, M.J. O'Hagan, W.J. Shaw, J.Y. Yang, M. Rakowski DuBois, and D.L. DuBois, et al. 2011. [Ni(PPh2NBn2)2(CH3CN)]2+ as an Electrocatalyst for H2 Production: Dependence on Acid Strength and Isomer Distribution. ACS Catalysis 1, no. 7:777-785. PNNL-SA-77921. doi:10.1021/cs2000939Aquino F.W., N. Govind, and J. Autschbach. 2011. Scalar relativistic computations of nuclear magnetic shielding and g-shifts with the zeroth-order regular approximation and range-separated hybrid density functionals. Journal of Chemical Theory and Computation 7, no. 10:3278-3292. PNNL-SA-80687. doi:10.1021/ct200408jArey B.W., L. Kovarik, Z. Wang, and A.R. Felmy. 2011. Investigation of Mineral Transformations in Wet Supercritical CO2 by Electron Microscopy. Microscopy and Microanalysis 17, no. Suppl S2:1928-1929. PNNL-SA-81736. doi:10.1017/S1431927611010518Atta-Fynn R., E.J. Bylaska, G.K. Schenter, and W.A. 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, no. 18:4665-4677. PNNL-SA-77578. doi:10.1021/jp201043fAutrey T., M.E. Bowden, and A.J. 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, no. 0:157-169. PNNL-SA-76789. doi:10.1039/C0FD00015ABaer D.R., A.S. Karakoti, P. Munusamy, B.D. Thrall, J.G. Pounds, J.G. Teeguarden, and J.E. Amonette, et al. 2011. Testing in EHS: What is the Current Status of Experimentation?. In 11th IEEE International Conference on Nanotechnology (IEEE-NANO 2011), August 15-18, 2011, Portland, Oregon, 18-19. Piscataway, New Jersey:IEEE. PNNL-SA-90027. doi:10.1109/NANO.2011.6144671Baer M.D., and C.J. Mundy. 2011. Toward an Understanding of the Specific Ion Effect using Density Functional Theory. The Journal of Physical Chemistry Letters 2, no. 9:1088-1093. PNNL-SA-78516. doi:10.1021/jz200333bBaer M.D., C.J. Mundy, M.J. McGrath, I.W. Kuo, J.I. Siepmann, and D.J. Tobias. 2011. Re-Examining the Properties of the Aqueous Vapor-Liquid Interface Using Dispersion Corrected Density Functional Theory. Journal of Chemical Physics 135, no. 12:Article No. 124712. PNNL-SA-79783. doi:10.1063/1.3633239Baer M.D., T.V. Pham, J.L. Fulton, G.K. Schenter, M. Balasubramanian, and C.J. Mundy. 2011. Is Iodate a Strongly Hydrated Cation?. The Journal of Physical Chemistry Letters 2, no. 20:2650-2654. PNNL-SA-81565. doi:10.1021/jz2011435Bayram E., J.C. Linehan, J.L. Fulton, J.A. Roberts, N. Szymczak, T.D. Smurthwaite, and S. Ozkar, et al. 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, no. 46:18889-18902. PNNL-SA-82012. doi:10.1021/ja2073438Belchik S.M., D.W. Kennedy, A. Dohnalkova, Y. Wang, P.C. Sevinc, H.J. Wu, and Y. Lin, et al. 2011. Extracellular Reduction of Hexavalent Chromium by Cytochromes MtrC and OmcA of Shewanella oneidensis MR-1. Applied and Environmental Microbiology 77, no. 12:4035–4041. PNWD-SA-9161. doi:10.1128/AEM.02463-10Bernacki B.E., N.C. Anheier, A. Mendoza, B.G. Fritz, and T.J. 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, edited by AW Fountain III and PJ Garnder, 8018, Article No. 80180K. Bellingham, Washington:SPIE. PNNL-SA-79500. doi:10.1117/12.884031Bhosale P.S., J. Chun, and J.C. Berg. 2011. Electroacoustics of Particles Dispersed in Polymer Gel. Langmuir 27, no. 12:7376-7379. PNNL-SA-80183. doi:10.1021/la2014495Bhosale P.S., J. Chun, and J.C. Berg. 2011. Electrophoretic Mobility of Poly(acrylic acid)-Coated Alumina Particles. Journal of Colloid and Interface Science 358, no. 1:123-128. PNNL-SA-77166. doi:10.1016/j.jcis.2011.02.038Boily J.F., and K.M. Rosso. 2011. Crystallographic controls on uranyl binding at the quartz/water interface. Physical Chemistry Chemical Physics. PCCP 13, no. 17:7845-7851. PNNL-SA-74312. Boily J.F., S.M. Chatman, and K.M. Rosso. 2011. Inner-Helmholtz Potential Development at the Hematite (alpha-Fe2O3) (001) Surface. Geochimica et Cosmochimica Acta 75, no. 15:4113-4124. PNNL-SA-75086. Bowden M.E., and T. Autrey. 2011. Characterization and Mechanistic Studies of the Dehydrogenation of NHxBHx Materials. Current Opinion in Solid State and Materials Science 15, no. 2:73-79. PNNL-SA-73671. doi:10.1016/j.cossms.2011.01.005Bowker R.H., M.C. Smith, M. Pease, K.M. Slenkamp, L. Kovarik, and M.E. Bussell. 2011. Synthesis and Hydrodeoxygenation Properties of Ruthenium Phosphide Catalysts. ACS Catalysis 1, no. 8:917-922. PNNL-SA-80947. doi:10.1021/cs200238vBrabec J., S. Krishnamoorthy, H.J. van Dam, K. Kowalski, and J. Pittner. 2011. Massively parallel implementation of the multi-reference Brillouin-Wigner CCSD method. Chemical Physics Letters 514, no. 4-6:347-351. PNNL-SA-80263. doi:10.1016/j.cplett.2011.08.016Bullock R.M. 2011. A Mercurial Route to a Cobalt Dihydrogen Complex. Angewandte Chemie International Edition 50, no. 18:4050-4052. PNNL-SA-76096. doi:10.1002/anie.201006731Burling I., R.J. Yokelson, S. Akagi, S. Urbanski, C.E. Wold, D. Griffith, and D. Griffith, et al. 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, no. 23:12197-12216. PNNL-SA-80379. doi:10.5194/acp-11-12197-2011Bylaska E.J., K.L. Tsemekhman, S.B. Baden, J.H. Weare, and H. Jonsson. 2011. Parallel Implementation of Gamma-Point Pseudopotential Plane-Wave DFT with Exact Exchange. Journal of Computational Chemistry 32, no. 1:54-69. PNNL-SA-64272. Cao B., B. Ahmed, D.W. Kennedy, Z. Wang, L. Shi, M.J. Marshall, and J.K. Fredrickson, et al. 2011. Contribution of Extracellular Polymeric Substances from Shewanella sp. HRCR-1 Biofilms to U(VI) Immobilization. Environmental Science & Technology 45, no. 13:5483-5490. PNNL-SA-77088. doi:10.1021/es200095jCarr R.T., M. Neurock, and E. Iglesia. 2011. Catalytic Consequences of Acid Strength in the Conversion of Methanol to Dimethyl Ether. Journal of Catalysis 278, no. 1:78-93. doi:10.1016/j.jcat.2010.11.017Chambers S.A. 2011. Understanding the mechanism of conductivity at the LaAlO3/SrTiO3(001) interface. Surface Science 605, no. 13-14:1133-1140. PNNL-SA-77419. doi:10.1016/j.susc.2011.04.011Chambers S.A., L. Qiao, T.C. Droubay, T.C. Kaspar, B.W. Arey, and P.V. Sushko. 2011. Band Alignment, Built-In Potential, and the Absence of Conductivity at the LaCrO3/SrTiO3(001) Heterojunction. Physical Review Letters 107, no. 20:Article No. 206802. PNNL-SA-80654. doi:10.1103/PhysRevLett.107.206802Chang-Graham A.L., L. Profeta, T.J. Johnson, R.J. Yokelson, A. Laskin, and J. Laskin. 2011. Case Study of Water-Soluble Metal Containing Organic Constituents of Biomass Burning Aerosol. Environmental Science & Technology 45, no. 4:1257-1263. PNNL-SA-74989. doi:10.1021/es103010jChatterjee S., A.S. Del Negro, Z. Wang, M.K. Edwards, F.N. Skomurski, S.E. Hightower, and J.A. Krause, et al. 2011. Electronic and Molecular Structures of trans-Dioxotechnetium(V) Polypyridyl Complexes in the Solid State. Inorganic Chemistry 50, no. 12:5815–5823. PNNL-SA-77828. doi:10.1021/ic200747vChen B., S.S. Shah, Y. Shin, C. Lei, and J. Liu. 2011. In vitro release of organophosphorus acid anhydrolase from functionalized mesoporous silica against nerve agents. Analytical Biochemistry 421, no. 2:477-81. PNNL-SA-73487. doi:10.1016/j.ab.2011.09.024Chen S., R.J. Rousseau, S. Raugei, M. Dupuis, D.L. DuBois, and R.M. Bullock. 2011. Comprehensive Thermodynamics of Nickel Hydride Bis(Diphosphine) Complexes: A Predictive Model through Computations. Organometallics 30, no. 22:6108-6118. PNNL-SA-81337. doi:10.1021/om200645xChin Y., C. Buda, M. Neurock, and E. Iglesia. 2011. Reactivity of Chemisorbed Oxygen Atoms and Their Catalytic Consequences during CH4–O2 Catalysis on Supported Pt Clusters. Journal of the American Chemical Society 133, no. 40:15958–15978. doi:10.1021/ja202411vChin Y., C. Buda, M. Neurock, and E. Iglesia. 2011. Selectivity of Chemisorbed Oxygen in C–H Bond Activation and CO Oxidation and Kinetic Consequences for CH4–O2 Catalysis on Pt and Rh Clusters. Journal of Catalysis 283, no. 1:10-24. doi:10.1016/j.jcat.2011.06.011Chong M., A.J. Karkamkar, T. Autrey, S. Orimo, S. Jalisatgi, and C.M. Jensen. 2011. Reversible Dehydrogenation of Magnesium Borohydride to Magnesium Triborane in the Solid State Under Moderate Conditions. Chemical Communications 47, no. 4:1330-1332. PNNL-SA-74978. doi:10.1039/C0CC03461DChun J., J.S. McCloy, J.V. Crum, and S.K. Sundaram. 2011. Millimeter Wave Rheometry: Theory and Experiment. Rheologica Acta 50, no. 2:125-130. PNNL-SA-71057. doi:10.1007/s00397-010-0522-1Chun J., T. Oh, M.L. Luna, and M.J. Schweiger. 2011. Effect of Particle Size Distribution on Slurry Rheology: Nuclear Waste Simulant Slurries. Colloids and Surfaces. A, Physicochemical and Engineering Aspects 384, no. 1-3:304-310. PNNL-SA-76785. Clarke T.A., M. Edwards, A.J. Gates, A.J. Gates, A. Hall, G. White, and J. Bradley, et al. 2011. Structure of a Bacterial Cell Surface Decaheme Electron Conduit. Proceedings of the National Academy of Sciences of the United States of America 108, no. 23:9384-9389. PNNL-SA-79964. doi:10.1073/pnas.1017200108Deskins N.A., R.J. Rousseau, and M. Dupuis. 2011. The Distribution of Ti3+ Surface Sites in Reduced TiO2. Journal of Physical Chemistry C 115, no. 15:7562-7572. PNNL-SA-77079. Devarakonda M.N., R.G. Tonkyn, D.N. Tran, J.H. Lee, and D.R. 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, no. 9:Article No. 092805. PNNL-SA-75345. Droubay T.C., C.I. Pearce, E.S. Ilton, M.H. Engelhard, W. Jiang, S.M. Heald, and E. Arenholz, et al. 2011. Epitaxial Fe3-xTixO4 films from magnetite to ulvöspinel by pulsed laser deposition. Physical Review B 84, no. 12:Article No. 125443. PNNL-SA-78052. doi:10.1103/PhysRevB.84.125443Du D., A. Chen, Y. Xie, A. Zhang, and Y. Lin. 2011. Nanoparticle-based immunosensor with apoferritin templated metallic phosphate label for quantification of phosphorylated acetylcholinesterase. Biosensors and Bioelectronics 26, no. 9:3857-3863. PNNL-SA-80616. doi:10.1016/j.bios.2011.02.047Du D., J. Liu, X. Zhang, X. Cui, and Y. Lin. 2011. One-step electrochemical deposition of a graphene-ZrO2 nanocomposite: Preparation, characterization and application for detection of organophosphorus agents. Journal of Materials Chemistry 21, no. 22:8032-8037. PNNL-SA-80611. doi:10.1039/C1JM10696ADu D., J. Wang, D. Lu, A. Dohnalkova, and Y. Lin. 2011. Multiplexed Electrochemical Immunoassay of Phosphorylated Proteins Based on Enzyme-Functionalized Gold Nanorod Labels and Electric Field-Driven Acceleration. Analytical Chemistry 83, no. 17:6580-6585. PNNL-SA-81735. doi:10.1021/ac2009977Du D., J. Wang, L. Wang, D. Lu, J.N. Smith, C. Timchalk, and Y. Lin. 2011. Magnetic Electrochemical Sensing Platform for Biomonitoring of Exposure to Organophosphorus Pesticides and Nerve Agents Based on Simultaneous Measurement of Total Enzyme Amount and Enzyme Activity. Analytical Chemistry 83, no. 10:3770-3777. PNNL-SA-78964. doi:10.1021/ac200217dDu D., L. Wang, Y. Shao, J. Wang, M.H. Engelhard, and Y. Lin. 2011. Functionalized Graphene Oxide as a Nanocarrier in a Multienzyme Labeling Amplification Strategy for Ultrasensitive Electrochemical Immunoassay of Phosphorylated p53 (S392). Analytical Chemistry 83, no. 3:746-752. PNNL-SA-75185. doi:10.1021/ac101715sDu Y., D. Kim, T. Varga, Z. Wang, J. Szanyi, and I. Lyubinetsky. 2011. Formation of single-phase BaO nanoclusters. Thin Solid Films 519, no. 16:5335-5338. PNNL-SA-76712. doi:10.1016/j.tsf.2011.02.032DuBois D.L., and R.M. 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, no. 7:1017-1027. PNNL-SA-75690. doi:10.1002/ejic.201001081Dupuis M., S. Chen, S. Raugei, D.L. DuBois, and R.M. 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, no. 18:4861-4865. PNNL-SA-76591. doi:10.1021/jp111479zEnderlin L.K., and K.M. Rosso. 2011. PNNL applies pressure to solving global climate change issues. DOE Pulse June 13, 2011, no. 339. PNNL-SA-80330. Engelhard M.H., B.J. Tarasevich, and D.R. Baer. 2011. Beam Damage of HS (CH2)15 COOH Terminated Self Assembled Monolayer (SAM) as Observed by X-Ray Photoelectron Spectroscopy. Surface Science Spectra 18, no. 1:68-81. PNNL-SA-61287. doi:10.1116/11.20080601Fagan J.A., B.J. Bauer, E.K. Hobbie, M.L. Becker, A. Hight-Walker, J.R. Simpson, and J. Chun, et al. 2011. Carbon Nanotubes: Measuring Dispersion and Length. Advanced Materials 23, no. 3:338-348. PNNL-18669. doi:10.1002/adma.201001756Felmy A.R., D.A. Moore, K.M. Rosso, O. Qafoku, D. Rai, E.C. Buck, and E.S. Ilton. 2011. Heterogeneous Reduction of PuO2 with Fe(II): Importance of the Fe(III) Reaction Product. Environmental Science & Technology 45, no. 9:3952-3958. PNNL-SA-76908. Felmy A.R., E.S. Ilton, K.M. Rosso, and J.M. Zachara. 2011. Interfacial Reactivity of Radionuclides: Emerging Paradigms from Molecular Level Observations. Mineralogical Magazine 75, no. 4:2379-2391. PNNL-SA-80615. Fredricksen C.J., D.R. Panjwani, J.P. Arnold, P.N. Figueiredo, F.K. Rezaie, J.E. Colwell, and K. Baillie, et al. 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, edited by L Tsakalakos, 8111, Article No. 811106. Bellingham, Washington:SPIE. PNNL-SA-82070. doi:10.1117/12.893620Fu Q., J. Yang, and X.B. Wang. 2011. On the Electronic Structures and Electron Affinities of the m- Benzoquinone (BQ) Diradical and the o-, p- BQ Molecules: A Synergetic Photoelectron Spectroscopic and Theoretical Study. Journal of Physical Chemistry A 115, no. 15:3201-3207. PNNL-SA-76920. doi:10.1021/jp1120542Fu Z., G. Shao, J. Wang, D. Lu, W. Wang, and Y. Lin. 2011. 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Fast and efficient molecular electrocatalysts for H2 production: Using hydrogenase enzymes as guides. MRS Bulletin 36, no. 1:39-47. PNNL-SA-75088. doi:10.1557/mrs.2010.8Yang L., X. Yu, Z. Zhu, S. Thevuthasan, and J.P. Cowin. 2011. Making a Hybrid Microfluidic Platform Compatible for In Situ Imaging by Vacuum-Based Techniques. Journal of Vacuum Science & Technology A: International Journal Devoted to Vacuum, Surfaces, and Films 29, no. 6:Article No. 061101. PNNL-SA-81346. doi:10.1116/1.3654147Yao M., Y. Li, M. Hossu, A.G. Joly, Z. Liu, Z. Liu, and W. Chen. 2011. Luminescence of Lanthanide-Dimethyl Sulfoxide Compound Solutions. Journal of Physical Chemistry B 115, no. 30:9352-9359. PNNL-SA-81905. doi:10.1021/jp202350pYi X.Y., H. Fang, Z. Gu, Z. Zhou, Y. Cai, J. Tian, and P.K. Thallapally. 2011. Metal-Organic Frameworks with Achiral/Monochiral Nano-channels. Crystal Growth & Design 11, no. 7:2824-2828. PNNL-SA-75152. doi:10.1021/cg101618nYin H., D. Wang, and M. Valiev. 2011. Hybrid Quantum Mechanical/Molecular Mechanics Study of the SN2 Reaction of CH3Cl+OH- in Water. Journal of Physical Chemistry A 115, no. 43:12047-12052. PNNL-SA-82050. doi:10.1021/jp2076808Yu J., K.M. Rosso, and J. Liu. 2011. Charge Localization and Transport in Lithiated Olivine Phosphate Materials. Journal of Physical Chemistry C 115, no. 50:25001-25006. PNNL-SA-72778. doi:10.1021/jp204188gYu J., K.M. Rosso, J. Zhang, and J. Liu. 2011. Ab initio study of lithium transition metal fluorophosphate cathodes for rechargeable batteries. Journal of Materials Chemistry 21, no. 32:12054-12058. PNNL-SA-78043. doi:10.1039/C1JM10900FZachara J.M., R.K. Kukkadapu, T. Peretyazhko, M.E. Bowden, C.M. Wang, D.W. Kennedy, and D.A. Moore, et al. 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, no. 21:6330-6349. 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2010

Aalseth C.E., M. Amman, J.F. Amsbaugh, F.T. Avignone, H.O. Back, A. Barabash, and P.S. Barbeau, et al. 2010. The MAJORANA Project. Journal of Physics: Conference Series 203, no. 1:Article No. 012057. PNNL-SA-102766. doi:10.1088/1742-6596/203/1/012057Amonette J.E., J.L. Barr, L.M. Dobeck, K. Gullickson, and S.J. Walsh. 2010. Spatio-temporal changes in CO2 emissions during the second ZERT injection, August-September 2008. Environmental Earth Sciences 60, no. 2:263-272. PNNL-SA-68668. doi:10.1007/s12665-009-0402-0Aquino F.W., N. Govind, and J. Autschbach. 2010. Electric field gradients calculated from two-component hybrid density functional theory including spin-orbit coupling. Journal of Chemical Theory and Computation 6, no. 9:2669–2686. PNNL-SA-73032. doi:10.1021/ct1002847Badireddy A.R., S. Chellam, P.L. Gassman, M.H. Engelhard, A.S. Lea, and K.M. Rosso. 2010. Role of Extracellular Polymeric Substances in Bioflocculation of Activated Sludge Microorganisms under Glucose-Controlled Conditions. Water Research 44, no. 2010:4505-4516. PNNL-SA-66541. doi:10.1016/j.watres.2010.06.024Baer D.R., A.E. Grosz, E.S. Ilton, K.M. Krupka, J. Liu, R.L. Penn, and A. Pepin. 2010. Separation, Characterization and Initial Reaction Studies of Magnetite Particles from Hanford Sediments. Physics and Chemistry of the Earth 35, no. 6-8:233-241. PNNL-SA-69255. doi:10.1016/j.pce.2010.04.010Baer D.R., A.E. Grosz, E.S. Ilton, K.M. Krupka, J. Liu, R.L. Penn, and A. Pepin. 2010. Separation, Characterization and Initial Reaction Studies of Magnetite Particles from Hanford Sediments. Physics and Chemistry of the Earth 35, no. 6-8:233-241. PNNL-SA-72295. doi:10.1016/j.pce.2010.04.010Baer D.R., and S. Thevuthasan. 2010. Characterization of Thin Films and Coatings. In Handbook of Deposition Technologies for Films and Coatings, edited by PM Martin. 749-864. Amsterdam:Elsevier. PNNL-SA-65322. Baer D.R., M.H. Engelhard, A.S. Lea, P. Nachimuthu, T.C. Droubay, J. Kim, and B. Lee, et al. 2010. Comparison of the Sputter Rates of Oxide Films Relative to the Sputter Rate of SiO2. Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 28, no. 5:1060-1072. PNNL-SA-67505. doi:10.1116/1.3456123Baer M., C.J. Mundy, T. Chang, F. Tao, and L.X. 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, no. 21:7245-7249. PNNL-SA-70346. doi:10.1021/jp100310sBagus P.S., C.J. Nelin, E.S. Ilton, M. Baron, H. Abbott, E. Primorac, and H. Kuhlenbeck, et al. 2010. The Complex Core Level Spectra of CeO2: An Analysis in Terms of Atomic and Charge Transfer Effects. Chemical Physics Letters 487, no. 4-6:237-240. PNNL-SA-67481. doi:10.1016/j.cplett.2010.01.041Beck K.M., A.G. Joly, and W.P. Hess. 2010. Effect of Surface Charge on Laser-induced Neutral Atom Desorption. Applied Physics A, Materials Science and Processing 101, no. 1:61-64. PNNL-SA-69648. doi:10.1007/s00339-010-5758-1Bernacki B.E., T.A. Blake, A. Mendoza, and T.J. 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, edited by C Lewis, D Burgess, R Zamboni, F Kajzar and EM Heckman, 7838, Paper No. 78380C. Bellingham, Washington:SPIE. PNNL-SA-75496. doi:10.1117/12.870739Boily J.F., P.L. Gassman, T. Peretyazhko, J. Szanyi, and J.M. Zachara. 2010. FTIR Spectral Components of Schwertmannite. Environmental Science & Technology 44, no. 4:1185-1190. PNNL-SA-71223. Bowden M.E., and M. Ryan. 2010. Absorption Correction for Cylindrical and Annular Specimens and their Containers or Supports. Journal of Applied Crystallography 43, no. 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Structure and Oxidation State of Hematite Surfaces Reacted with Aqueous Fe(II) at Acidic and Neutral pH. Geochimica et Cosmochimica Acta 74, no. 5:1498-1512. PNNL-SA-70256. doi:10.1016/j.gca.2009.12.018Cauet E., S.A. Bogatko, J.H. Weare, J.L. Fulton, G.K. Schenter, and E.J. 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, no. 19:Article 194502. PNNL-SA-67713. Cauet E.L., M. Valiev, and J.H. Weare. 2010. Vertical Ionization Potentials of Nucleobases in a Fully Solvated DNA Environment. Journal of Physical Chemistry B 114, no. 17:5886-5894. PNNL-SA-66857. Cendejas R.A., M.C. Phillips, T.L. Myers, and M.S. Taubman. 2010. Single-mode, narrow-linewidth external cavity quantum cascade laser through optical feedback from a partial-reflector. Optics Express 18, no. 25:26037-26045. PNNL-SA-74726. doi:10.1364/OE.18.026037Chambers S.A. 2010. Epitaxial Growth and Properties of Doped Transition Metal and Complex Oxide Films. Advanced Materials 22, no. 2:219-248. PNNL-SA-66856. doi:10.1002/adma.200901867Chambers S.A., M.H. Engelhard, V. Shutthanandan, Z. Zhu, T.C. Droubay, L. Qiao, and P.V. Sushko, et al. 2010. "Instability, intermixing and electronic structure at the epitaxial LaAlO3/SrTiO3(001) heterojunction." Surface Science Reports 65, no. 10-12:317-352. PNNL-SA-73191. doi:10.1016/j.surfrep.2010.09.001Chellappa R.S., T. Autrey, M. Somayazulu, V.V. Struzhkin, and R.J. Hemley. 2010. High-Pressure Hydrogen Interactions with Polyaminoborane and Polyiminoborane. ChemPhysChem 11, no. 1:93-96. PNNL-SA-71060. doi:10.1002/cphc.200900829Chen S., S. Raugei, R.J. Rousseau, M. Dupuis, and R.M. 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, no. 48:12716-12724. PNNL-SA-73995. doi:10.1021/jp106800nCheng T., D.J. Szalda, J.A. Franz, and R.M. Bullock. 2010. Structural and Computational Studies of Cp(CO)2(PCy3)MoFBF3, a Complex with a Bound BF4- Ligand. Inorganica Chimica Acta 363, no. 3:581-585. PNNL-SA-63229. doi:10.1016/j.ica.2009.02.028Cho H.M., W.A. De Jong, A.P. 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, no. 38:13138-13140. PNNL-SA-73730. Cho H.M., W.A. De Jong, and C.Z. Soderquist. 2010. Probing the Oxygen Environment in UO22+ by Solid-State O-17 Nuclear Magnetic Resonance Spectroscopy and Relativistic Density Functional Calculations. 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Stabilization and Control of Rheological Properties of Fe2O3/Al(OH)(3)-rich Colloidal Slurries Under High Ionic Strength and pH. Journal of Colloid and Interface Science 348, no. 1:280-288. PNNL-SA-69295. Chun J., P.R. Bredt, E. Hansen, P.S. Bhosale, and J.C. Berg. 2010. Impact of Rheological Modifiers on Various Slurries Supporting DOE Waste Processing. In Waste Management 2010: Improving the Future by Dealing with the Past, March 7-11, 2010, Phoenix, Arizona, Paper No. 10099. Phoenix, Arizona:WM Symposia. PNNL-SA-70278. Craig N.C., M.C. Leyden, M.C. Moore, A.K. Patchen, T. van den Heuvel, T.A. Blake, and T. Masiello, et al. 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, no. 1:49-60. PNNL-SA-70785. doi:10.1016/j.jms.2010.05.002Daschbach J.L., X. Sun, P.K. Thallapally, B.P. McGrail, and L.X. Dang. 2010. 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2009

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2007

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Photoelectron Spectroscopy of Singly and Doubly Charged Higher Fullerenes at Low Temperatures: C76-, C78-, C84- and C76(2-), C78(2-), C84(2-). Journal of Physical Chemistry C 111, no. 48:17684-17689. PNNL-SA-55132. Waters T., X.B. Wang, and L.S. Wang. 2007. Electroscopy Ionization Photoelectron Spectroscopy: Probing the Electronic Structure of Inorganic Metal Complexes in the Gas Phase. Coordination Chemistry Reviews 251, no. 3-4:474-491. PNNL-SA-49189. Wei W., G. Xiong, Y. Sun, A.G. Joly, K.M. Beck, J.M. White, and W.P. Hess. 2007. Real Time Study of Cu Diffusion Through a Ru Thin Film by Photoemission Electron Microscopy (PEEM). In Materials, technology and reliability of low-k dielectrics and copper interconnects. Materials Research Society Symposium Proceedings; 2006, edited by Ting Y Tsui, 914, 185-190 (Paper no. 0914-F05-07). Warrendale, Pennsylvania:Material Research Society. PNNL-SA-49613. Wei W., S.L. Parker, Y. Sun, J.M. White, G. Xiong, A.G. Joly, and K.M. 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Relative Raman Intensities in C6H6, C6D6, and C6F6: A Comparison of Different Computational Methods. Theoretical Chemistry Accounts 117, no. 2:283-290. PNNL-SA-46036. Wu F., V.K. Dioumaev, D.J. Szalda, J. Hanson, and R.M. Bullock. 2007. A Tungsten Complex with a Bidentate, Hemilabile N-Heterocyclic Carbene Ligand, Facile Displacement of the Weakly Bound W-(C=C) Bond, and the Vulnerability of the NHC Ligand Toward Catalyst Deactivation During Ketone Hydrogenation. Organometallics 26, no. 20:5079-5090. PNNL-SA-55012. doi:10.1021/om700694eWu H., G. Liu, J. Wang, and Y. Lin. 2007. Quantum-Dots Based Electrochemical Immunoassay of Interleukin-1a. Electrochemistry Communications 9, no. 7:1573-1577. PNNL-SA-54046. doi:10.1016/j.elecom.2007.02.024Xiong G., R. Shao, T.C. Droubay, A.G. Joly, K.M. Beck, S.A. Chambers, and W.P. Hess. 2007. Photoemission Electron Microscopy of TiO2 Anatase Films Embedded with Rutile Nanocrystals. Advanced Functional Materials 17, no. 13:2133-2138. 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2006

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FTIR Spectroscopy for Bacterial Spore Identification and Classification. In Chemical and Biological Sensors for Industrial and Environmental Monitoring II. Proceedings- SPIE the International Society for Optical Engineering, edited by S.D. Christesen, A.J. Sedlacek, J.B. Gillespie, K.J. Ewing, 6378, 63780P, (10 pages). Bellingham, Washington:SPIE Int. PNNL-SA-51859. doi:10.1117/12.686232Valiev M., and K. Kowalski. 2006. Hybrid Coupled Cluster and Molecular Dynamics Approach: Application to the Excitation Spectrum of Cytosine in the Native DNA Environment. Journal of Chemical Physics 125, no. 21:Art. No. 211101. PNNL-SA-49559. doi:10.1063/1.2403847Varnum S.M., M.G. Warner, B.P. Dockendorff, N.C. Anheier, J. Lou, J.D. Marks, and L.A. Smith, et al. 2006. Enzyme-amplified protein micorarray and a fluidic renewable surface fluorescence immunoassay for botulinum neurotoxin detection using high-affinity recombinant antibodies. Analytica Chimica Acta 570, no. 2:137-143. PNNL-SA-47972. 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Photoelectron Spectroscopy of Free Multiply Charged Keggin Anions a-[PM12O40]3- (M = Mo, W) in the Gas Phase. Journal of Physical Chemistry A 110, no. 37:10737-10741. PNNL-SA-51280. doi:10.1021/jp063594mWaters T., X.B. Wang, H. Woo, and L.S. Wang. 2006. Photoelectron Spectroscopy of the Bis(dithiolene) Anions [M(mnt)2]n- (M = Fe - Zn; n = 1, 2): Changes in Electronic Structure with Variation of Metal Center and with Oxidation. Inorganic Chemistry 45, no. 15:5841-5851. PNNL-SA-50518. doi:10.1021/ic060255zWeier D.R., C.A. Lopresti, J.H. Ely, D.J. Bates, and R.T. Kouzes. 2006. Improved Performance of Energy Window Ratio Criteria Obtained Using Multiple Windows at Radiation Portal Monitoring Sites. In Proceedings of the Institute of Nuclear Materials Management 47th Annual Meeting, July 16-20, Nashville, Tennessee. Northbrook, Illinois:Institute of Nuclear Materials Management. PNNL-SA-50447. White M.D., B.P. McGrail, H.T. Schaef, and D.H. Bacon. 2006. 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2005

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Photoelectron Spectroscopy of Doubly and Singly Charged Group VIB Dimetalate Anions: M2O72-, MM'072-, and M207- (M, M'=Cr, Mo, W). Journal of Physical Chemistry A 109, no. 46:10512-10520. PNNL-SA-47761. doi:10.1021/jp055122yZhang J., F. Su, W. Chen, R. Sammynaiken, S.L. Westcott, D.E. McCready, and G. Li, et al. 2005. Synthesis and Luminescence of ZnMgS:Mn2+ Nanoparticles. Journal of Nanoscience and Nanotechnology 5, no. 9:1465-1471. PNNL-SA-44628.

2004

Alexandrova A.N., A.I. Boldyrev, Y. Fu, X. Yang, X.B. Wang, and L.S. Wang. 2004. Structure of the NaxC1x+1- (x=1-4) Clusters via AB Initio Genetic Algorithm and Photoelectron Spectroscopy. Journal of Chemical Physics 121, no. 12:5709-5719. PNNL-SA-42288. Anheier N.C., P.J. Allen, and T.L. Myers. 2004. Advanced quantum cascade laser transmitter architectures and infrared photonics development. In Quantum Sensing and Nanophotonic Devices, Proceedings of SPIE - The International Society for Optical Engineering, 5359, 203-209. Bellingham, Washington:SPIE International Society Optical Engineering. PNNL-SA-40319. Autrey T., A.K. Brown, D.M. Camaioni, M. Dupuis, N.S. Foster, and A.D. Getty. 2004. Thermochemistry of Aqueous Hydroxyl Radical from Advances in Photoacoustic Calorimetry and ab Initio Continum Solvation Theory. Journal of the American Chemical Society 126, no. 12:3680-3681. PNNL-SA-40655. Azad S., M.H. Engelhard, C.H. Peden, and S. Thevuthasan. 2004. X-ray Photoelectron Spectroscopy Studies of Oxidized and Reduced Ce0·8Zr0·2O2(111). Surface Science Spectra 11, no. 1-4:82-90. PNNL-SA-44324. doi:10.1116/11.20050202Bagus P.S., E.S. Ilton, and J.R. Rustad. 2004. Ligand-Field Effects for the 3p Photoelectron Spectra of Cr2O3. Physical Review. B, Condensed Matter and Materials Physics 69, no. 20:205112. PNNL-SA-39550. Bagus P.S., R. Broer, and E.S. Ilton. 2004. A New Near Degeneracy Effect for Photoemission in Transition Metals. Chemical Physics Letters 394, no. 1-3:150-154. PNNL-SA-39923. Bargar J., T.P. Trainor, J.P. Fitts, S.A. Chambers, and G.E. Brown. 2004. In Situ Grazing-Incidence Extended X-ray Absorption Fine Structure Study of Pb(II) Chemisorption on Hematite (0001) and (1-102) Surfaces. Langmuir 20, no. 5:1667-1673. PNNL-SA-40145. Barlow S.E., J. Kwak, C.H. Peden, J. Szanyi, R.G. Tonkyn, G. Singh, and K. Stork, et al. 2004. Plasma Catalysis for NOx Reduction from Light-Duty Diesel Vehicles. In Advanced Combustion Engine R&D: 2003 Annual Progress Report, edited by G Singh. 129-136. Washington, Dc:Department of Energy. PNNL-SA-41975. Barlow S.E., J. Kwak, C.H. Peden, J. Szanyi, R.G. Tonkyn, K. Howden, and J.W. Hoard, et al. 2004. Plasma Catalysis for NOx Reduction from Light-Duty Diesel Vehicles. In Advanced Combustion Engine Research & Development, 2004 Annual Progress Report. 180-183. Washington Dc:US Department of Energy, Energy Efficiency and Renewable Energy. PNNL-14926. Beck K.M., A.G. Joly, N.F. Dupuis, P. Perozzo, W.P. Hess, P.V. Sushko, and A.L. Shluger. 2004. Laser Control of Product Electronic State: Desorption from Alkali Halides. Journal of Chemical Physics 120, no. 5:2456-2463. PNNL-SA-39229. Benner D.C., T.A. Blake, L.R. Brown, V.M. Devi, M. Smith, and R.A. Toth. 2004. Air-Broadening Parameters in the ?3 Band of 14N16O2 Using a Multispectrum Fitting Technique. Journal of Molecular Spectroscopy 228, no. 2:593-619. PNNL-SA-43795. Bertram H., J. Hu, D.N. Rommereim, R.A. Wind, and H.J. Andersen. 2004. Dynamic High-Resolution H-1 and P-31 NMR Spectroscopy and H-1 T-2 Measurements in Postmortem Rabbit Muscles Using Slow Magic Angle Spinning. Journal of Agricultural and Food Chemistry 52, no. 9:2681-2688. PNNL-SA-41831. Beyenal H., R.K. Sani, B.M. Peyton, A. Dohnalkova, J.E. Amonette, and Z. Lewandowski. 2004. Uranium Immobilization by Sulfate-reducing Biofilms. Environmental Science & Technology 38, no. 7:2067-2074. PNNL-SA-42569. Bickmore B.R., C.J. Tadanier, K.M. Rosso, W.D. Monn, and D.L. Eggett. 2004. Bond-Valence Methods for pK(a) Prediction: Critical Re-Analysis and a New Approach. Geochimica et Cosmochimica Acta 68, no. 9:2025-2042. PNNL-SA-39811. Bitterwolf T.E., J.D. Newell, C.T. Carver, R.S. Addleman, J.C. Linehan, and G.E. Fryxell. 2004. Rhodium catalysts bound to functionalized mesoporous silica. Inorganica Chimica Acta 357, no. 10:3001-3006. PNNL-SA-43062. Bryan J.D., S.M. Heald, S.A. Chambers, and D.R. Gamelin. 2004. Strong Room-Temperature Ferromagnetism in Co2+-Doped TiO2 Made from Colloidal Nanocrystals. Journal of the American Chemical Society 126, no. 37:11640-11647. PNNL-SA-43105. Bylaska E.J., D.A. Dixon, A.R. Felmy, E. Apra, T.L. Windus, C. Zhan, and P.G. Tratnyek. 2004. The Energetics of the Hydrogenolysis, Dehydrohalogenation, and Hydrolysis of 4,4'-Dichloro-diphenyl-trichloroethane from Ab Initio Electronic Structure Theory. Journal of Physical Chemistry A 108, no. 27:5883-5893. PNNL-SA-39911. Chambers S.A., T.C. Droubay, T.C. Kaspar, and M.S. Gutowski. 2004. Accurate Valence Band Maximum Determination for SrTiO3(001). Surface Science 554, no. 2-3:81-89. PNNL-SA-39651. Chambers S.A., T.C. Droubay, T.C. Kaspar, and M.S. Gutowski. 2004. Experimental Determination of Valence Band Maxima for SrTiO3, TiO2, and SrO and the Associated Valence Band Offsets with Si(001). Journal of Vacuum Science and Technology B--Microelectronics and Nanometer Structures 22, no. 4:2205-2215. PNNL-SA-39659. Chen W., A.G. Joly, J. Malm, and J. Bovin. 2004. Upconversion luminescence of Eu3+ and Mn2+ in ZnS:Mn2+, Eu3+ codoped nanoparticles. Journal of Applied Physics 95, no. 2:667-672. PNNL-SA-40757. Chen W., J. Bovin, A.G. Joly, S. Wang, F. Su, and G. Li. 2004. Full-Color Emission From In2S3 and In2S3:Eu3+ Nanoparticles. Journal of Physical Chemistry B 108, no. 32:11927-11934. PNNL-SA-41658. Chen W., J.Z. Zhang, and A.G. Joly. 2004. Optical Properties and Potential Applications of Doped Semiconductor Nanoparticles. Journal of Nanoscience and Nanotechnology 4, no. 8:919-947. PNNL-SA-41022. Cho H.M., W.A. De Jong, B.K. McNamara, B.M. Rapko, and I.E. Burgeson. 2004. Temperature and Isotope Substitute Effects on the Structure and NMR Properties of the Pertechnetate Ion in Water. Journal of the American Chemical Society 126, no. 37:11583-11588. PNNL-SA-41266. Edge L.F., D.G. Schlom, R.T. Brewer, Y.J. Chabal, J.R. Williams, S.A. Chambers, and C. Hinkle, et al. 2004. Suppression of Subcutaneous Oxidation during the Deposition of Amorphous Lanthanum Aluminate on Silicon. Applied Physics Letters 84, no. 23:4629-4631. PNNL-SA-40266. Edge L.F., D.G. Schlom, S.A. Chambers, E. Cicerrella, J.L. Freeouf, B. Hollander, and J. Schubert. 2004. Measurement of the Band Offsets between Amorphous LaAlO3 and Silicon. Applied Physics Letters 84, no. 5:726-728. PNNL-SA-43521. Edge L.F., D.G. Schlom, S.A. Chambers, E. Cicerrella, J.L. Freeouf, B. Hollander, and J. Schubert. 2004. Measurements of the Band Offsets Between Amorphous LaAIO3 and Silicon. Applied Physics Letters 84, no. 5:726-728. PNNL-SA-40144. Eggleston C.M., A.G. Stack, K.M. Rosso, and A. Bice. 2004. Adatom Fe(III) on the hematite surface: Observation of a key reactive surface species. Geochemical Transactions 5, no. 2:33-40. PNNL-SA-40051. Egorov O.B., M.J. O'Hara, and J.W. Grate. 2004. Microwave-Assisted Sample Treatment in a Fully Automated Flow-Based Instrument: Oxidation of Reduced Technetium Species in the Analysis of Total Technetium-99 in Caustic Aged Nuclear Waste Samples. Analytical Chemistry 76, no. 14:3869-3877. PNNL-SA-40761. Engelhard M.H., S. Azad, C.H. Peden, and S. Thevuthasan. 2004. X-ray Photoelectron Spectroscopy Studies of Oxidized and Reduced CeO2(111) Surfaces. Surface Science Spectra 11, no. 1-4:73-81. PNNL-SA-44325. Espana A.L., A.G. Joly, W.P. Hess, and J.T. Dickinson. 2004. Laser-Induced Damage of Calcium Fluoride. Journal of Undergraduate Research Volume IV, 2004. PNNL-SA-40508. Farnan I.E., H.M. Cho, W.J. Weber, R.D. Scheele, N.R. Johnson, and A.E. Kozelisky. 2004. High-Resolution Solid-State Nuclear Magnetic Resonance Experiments on Highly Radioactive Ceramics. Review of Scientific Instruments 75, no. 12:5232-5236. PNNL-SA-41823. Felmy A.R., Z. Wang, D.A. Dixon, and N.J. Hess. 2004. Chemical Equilibrium Modeling of Hanford Waste Tank Processing: Applications of Fundamental Science. In Waste Management '04: HLW, LLW, Mixed Hazardous Wastes and Environmental Restoration - Working Towards a Cleaner Environment, Paper No. 4526. Tucson, Arizona:WM Symposia, Inc. PNNL-SA-40711. Foster N.S., N.B. Valentine, S.E. Thompson, T.J. Johnson, and J.E. Amonette. 2004. FTIR Transmission and Photoacoustic Spectroscopy for the Statistical Identification of Bacteria. In Proceedings of SPIE - Chemical and Biological Point Sensors for Homeland Defense, edited by Arthur J. Sedlacek III, Richard Colton, Tuan Vo-Dinh, 5269, 172-182. Bellingham, Washington:SPIE (International Society for Optical Engineering). PNNL-SA-39817. doi:10.1117/12.519199Foster N.S., S.E. Thompson, N.B. Valentine, J.E. Amonette, and T.J. Johnson. 2004. Identification of Sporulated and Vegetative Bacteria using Statistical Analysis of Fourier Transform Mid-Infrared Transmission Data. Applied Spectroscopy 58, no. 2:203-211. PNNL-SA-38461. doi:10.1366/000370204322842940Franz J.A., D.S. Kolwaite, J.C. Linehan, and E. Rosenberg. 2004. Comparison of Hydrogen Atom Abstraction Rates of Terminal and Bridging Hydrides in Triosmium Clusters: Absolute Abstraction Rate Constants for Benzyl Radical. Organometallics 23, no. 3:441-445. PNNL-SA-38160. Franz J.A., J.C. Birnbaum, D.S. Kolwaite, J.C. Linehan, D.M. Camaioni, and M. Dupuis. 2004. Activation of the Sulfhydryl Group by Mo Centers: Kinetics of Reaction of Benzyl Radical with a Binuclear Mo(mu-SH)Mo Complex and with Arene and Alkane Thiols. Journal of the American Chemical Society 126, no. 21:6680-6691. PNNL-SA-41124. Franz J.A., W.J. Shaw, C.N. Lamb, T. Autrey, D.S. Kolwaite, D.M. Camaioni, and M.S. Alnajjar. 2004. Absolute Rate Constants for Reactions of Tributylstannyl Radicals with Bromoalkanes, Episulfides, and alpha-Halomethyl-Episulfides, -Cyclopropanes, and -Oxiranes: New Rate Expressions for Sulfur and Bromine Atom Abstraction. Journal of Organic Chemistry 69, no. 4:1020-1027. PNNL-SA-41000. Fryxell G.E., H. Wu, Y. Lin, W.J. Shaw, J.C. Birnbaum, J.C. Linehan, and Z. Nie, et al. 2004. Lanthanide Selective Sorbents: Self-Assembled Monolayers on Mesoporous Supports (SAMMS). Journal of Materials Chemistry 14, no. 22:3356-3363. PNNL-SA-39211. Fryxell G.E., H. Wu, Y. Lin, W.J. Shaw, J.C. Birnbaum, J.C. Linehan, and Z. Nie, et al. 2004. Lanthanide Selective Sorbents: Self-Assembled Monolayers on Mesoporous Supports (SAMMS). Journal of Materials Chemistry 14, no. 22:3356-3363. PNNL-SA-42916. Fryxell G.E., R.S. Addleman, S.V. Mattigod, Y. Lin, T.S. Zemanian, H. Wu, and J.C. Birnbaum, et al. 2004. Environmental and Sensing Applications of Molecular Self-Assembly. 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Journal of Physical Chemistry A 108. PNNL-SA-43362. Goss L.M., C.D. Mortensen, and T.A. Blake. 2004. Rotationally Resolved Spectroscopy of the nu(8) Band of cis-Methyl Nitrite. Journal of Molecular Spectroscopy 225, no. 2:182-188. PNNL-SA-39626. Grate J.W., and J. Kim. 2004. Biocatalytic Single Enzyme Nanoparticles. In Dekker Encyclopedia of Nanoscience and Nanotechnology, edited by James A. Schwarz, Cristian I. Contescu, and Karol Putyera. 235-239. New York, New York:Marcel Dekker. PNNL-SA-39690. Grate J.W., D.A. Nelson, R.L. Skaggs, R.E. Synovec, and G.M. Gross. 2004. Metal Nanoparticles Protected with Monolayers: Applications for Chemical Vapor Sensing and Gas Chromatography. In Dekker Encyclopedia of Nanoscience and Nanotechnology, edited by James A. Schwarz, Cristian I. Contescu, and Karol Putyera. 1859-1867. New York, New York:Marcel Dekker. PNNL-SA-39689. Gross G.M., B.J. Prazen, J.W. Grate, and R.E. Synovec. 2004. High-Speed Gas Chromatography using Synchronized Dual-Valve Injection. Analytical Chemistry 76, no. 13:3517-3524. PNNL-SA-42540. Gross G.M., J.W. Grate, and R.E. Synovec. 2004. Development and Evaluation of Gold-Centered Monolayer Protected Nanoparticle Stationary Phases for Gas Chromatography. Journal of Chromatography A 1060, no. 1-2:225-236. PNNL-SA-43541. Gross G.M., J.W. Grate, and R.E. Synovec. 2004. Monolayer-Protected Gold Nanoparticles as an Efficient Stationary Phase for Open Tubular Gas Chromatography using a Square Capillary Model for Chip-Based Gas Chromatography in Square Cornered Microfabricated Channels. Journal of Chromatography A 1029, no. 1-2:185-192. PNNL-SA-38986. Han L., W. Wu, F. Kirk, J. Luo, M.M. Maye, N.N. Kariuki, and Y. Lin, et al. 2004. A Direct Route towards Assembly of Nanoparticle-Carbon Nanotube Composite Materials. Langmuir 20, no. 14:6019-6025. PNNL-SA-39379. Hodges M.P., R.J. Wheatley, G.K. Schenter, and A.H. Harvey. 2004. Intermolecular potential and second virial coefficient of the water-hydrogen complex. Journal of Chemical Physics 120, no. 2:710-720. PNNL-SA-38945. Hu J.Z., R.A. Wind, J.S. Mclean, Y.A. Gorby, C.T. Resch, and J.K. Fredrickson. 2004. High Resolution 1H NMR Spectroscopy of Metabolically Active Microorganisms Using Non-Destructive Magic Angle Spinning. Spectroscopy 19, no. 12:98-103. PNNL-SA-42335. Hunger S., H.M. Cho, J.T. Sims, and D.L. Sparks. 2004. Direct Speciation of Phosphorus in Alum-Amended Poultry Litter: Solid-State 31P NMR Investigation. Environmental Science & Technology 38, no. 3:674-681. PNNL-SA-40405. Ilton E.S., A. Haiduc, C. Moses, S.M. Heald, D. Elbert, and D.R. Veblen. 2004. Heterogeneous Reduction of Uranyl by Micas: Crystal Chemical and Solution Controls. Geochimica et Cosmochimica Acta 68, no. 11:2417-2435. PNNL-SA-38030. Infante I.A., L. Visscher, X.B. Wang, R.A. O'Hair, A.G. Wedd, J. Li, and D.A. Dixon, et al. 2004. Photoelectron Spectroscopy of Free Polyoxoanions Mo6O19 2- and W6O19 2- in the Gas Phase. Journal of Physical Chemistry A 108, no. 46:10089-10093. PNNL-SA-42029. Jiang W., V. Shutthanandan, S. Thevuthasan, D.E. McCready, and W.J. Weber. 2004. Carbon Analysis using Energetic Ion Beams. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 222, no. 3-4:538-546. PNNL-SA-40309. Jiang W., W.J. Weber, V. Shutthanandan, L. Li, and S. Thevuthasan. 2004. Thermal and Dynamic Responses of Ag Implants in Silicon Carbide. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 219-220. PNNL-SA-39035. Johnson T.J., B.A. Roberts, and J.F. Kelly. 2004. Semiactive Infrared Remote Sensing: A Practical Prototype and Field Comparison. Applied Optics 43, no. 3:638-650. PNNL-SA-38399. Johnson T.J., R.L. Sams, and S.W. Sharpe. 2004. The PNNL Quantitative Infrared Database for Gas-Phase Sensing: A Spectral Library for Environmental, Hazmat and Public Safety Standoff Detection. In Chemical and Biological Point Sensors for Homeland Defense, edited by AJ Sedlacek III, R Colton and T Vo-Dinh, 5269, 159-167. Bellingham, Washington:SPIE. PNNL-SA-39521. doi:10.1117/12.515604Johnson T.J., R.L. Sams, and S.W. Sharpe. 2004. The PNNL Quantitative Infrared Database for Gas-Phase Sensing: A spectral Library for Environmental, Hazmat, and Public Safety Standoff Detection. In Chemical and Biological Point Sensors for Homeland Defense. Proceedings of the SPIE, edited by Arthur J. Sedlacek III, Richard Colton, Tuan Vo-Dinh, 5269, 159-167. Bellingham, Washington:International Society for Optical Engineering. PNNL-SA-41172. Joly A.G., W.P. Hess, and K.M. Beck. 2004. Time-Resolved Femtosecond Laser Desorption from Alkali Halide Crystals. In High-Power Laser Ablation V. Proceedings of the SPIE, edited by Claude R. Phipps, 5448, 532-537. Bellingham:International Society Optical Engineering. PNNL-SA-41296. Kariuki N.N., J. Luo, L. Han, M.M. Maye, L. Moussa, M. Patterson, and Y. Lin, et al. 2004. Nanoparticle-Structured Ligand Framework as Electrode Interfaces. Electroanalysis 16, no. 1-2:120-126. PNNL-SA-39108. Kariuki N.N., J. Luo, M.M. Maye, S.A. Hassan, T. Menard, H.R. Naslund, and Y. Lin, et al. 2004. Composition-Controlled Synthesis of Bimetallic Gold-Silver Nanoparticles. Langmuir 20, no. 25:11240-11246. PNNL-SA-43470. Kathmann S.M., G.K. Schenter, and B.C. Garrett. 2004. Multicomponent Dynamical Nucleation Theory And Sensitivity Analysis. Journal of Chemical Physics 120, no. 19:9133-9141. PNNL-SA-40277. Kim J., Z. Dohnalek, J.M. White, and B.D. Kay. 2004. Reactive Growth of Nanoscale MgO Films by Mg Atom Deposition onto O2 Multilayers. Journal of Physical Chemistry B 108, no. 31:11666-11671. PNNL-SA-40944. Kim Y.J., S. Thevuthasan, T.C. Droubay, A.S. Lea, C.M. Wang, V. Shutthanandan, and S.A. Chambers, et al. 2004. Growth and Properties of molecular beam epitaxially grown ferromagnetic Fe-doped TiO2 rutile films on TiO2. Applied Physics Letters 84, no. 18:3531-3533. PNNL-SA-40048. Kwak J., J. Szanyi, and C.H. Peden. 2004. Non-Thermal Plasma-assisted NOx Reduction over Alkali and Alkaline Earth Ion Exchanged Y, FAU Zeolites. Catalysis Today 89, no. 1-2:135-141. PNNL-SA-38276. Li H., L. Li, M. Qian, D.M. Strachan, and Z. Wang. 2004. Structure of Glass-Forming Melts - Lanthanide in Borosilicates. In Ceramic Transactions: Melt Chemistry, Relaxation, and Solidification Kinetics of Glasses: Proceedings of the 106th Annual Meeting of The American Ceramic Society, 2004 Indianapolis, Indiana, edited by H Li, CS Ray, DM Strachan, R Weber and Y Yue, 170, 69-80. Westerville, Ohio:American Ceramic Society. PNNL-SA-41667. Lin Y., F. Lu, and J. Wang. 2004. 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Identification of Bacterial Spores using Statistical Analysis of Fourier Transform Infrared Photoacoustic Spectroscopy Data. Applied Spectroscopy 57, no. 8:893-899. PNNL-SA-38571. doi:10.1366/000370203322258832Tonkyn R.G., S.E. Barlow, and J. Hoard. 2003. Reduction of NOx in Synthetic Diesel Exhaust via Two-Step Plasma-Catalysis Treatment. Applied Catalysis. B, Environmental 40, no. 3:207-217. PNNL-SA-35299. Tuan A.C., T.C. Kaspar, T.C. Droubay, J.W. Rogers, and S.A. Chambers. 2003. Band Offsets for the Epitaxial TiO2/SrTiO3/Si(001) System. Applied Physics Letters 83, no. 18:3734-3736. PNNL-SA-39168. Valiev M., E.J. Bylaska, and J.H. Weare. 2003. Calculations of the Electronic Structure of 3d Transition Metal Dimers with Projector Augmented Plane Wave Method. Journal of Chemical Physics 119, no. 12:5955-5964. PNNL-SA-36780. Valiev M., R. Kawai, J.A. Adams, and J.H. Weare. 2003. 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2002

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X-ray Imaging and X-ray Absorption Spectroscopy of a Heterogeneous Hydrothermal Solution using a Diamond Micro-Reactor Cell. Review of Scientific Instruments 72. PNNL-SA-32923. Fulton J.L., M.M. Hoffman, J.G. Darab, B.J. Palmer, and E.A. Stern. 2001. Ion Hydration and Ion-Pair Formation in Water. In Advanced Photon Source Forefront 1, ANL/APS/TB-42. 83-85. Argonne, Illinois:Argonne National Laboratory. PNNL-SA-35115. Gao F., E.J. Bylaska, W.J. Weber, and L.R. Corrales. 2001. Ab Initio and Empirical Potential Studies of Defect Properties in 3C-SiC. Physical Review. B, Condensed Matter 64, no. 24:245208, 1-7. PNNL-SA-34693. Gao F., E.J. Bylaska, W.J. Weber, and L.R. Corrales. 2001. Native Defect Properties in Beta-SiC: Ab Initio and Empirical Potential Calculations. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 180, no. 1-4:286-292. PNNL-SA-33426. Grate J.W., and B.M. Wise. 2001. A Method for Chemometric Classification of Unknown Vapors from the Responses of an Array of Volume-Transducing Sensors. Analytical Chemistry 73, no. 10:2239-2244. PNNL-SA-34487. Grate J.W., S.J. Patrash, S.N. Kaganove, M.H. Abraham, B.M. Wise, and N.B. Gallagher. 2001. Inverse Least Squares Modeling of Vapor Descriptors using Polymer-coated Surface Acoustic Wave Sensor Array Responses. Analytical Chemistry 73, no. 21:5247-5259. PNNL-SA-34807. Hess W.P., A.G. Joly, D.P. Gerrity, K.M. Beck, P. Sushko, and A. Shluger. 2001. Selective laser desorption of ionic surfaces: resonant surface excitation of KBr. Journal of Chemical Physics 115, no. 20:9463 - 9472. PNNL-SA-34994. Hoffmann M.M., J.G. Darab, and J.L. Fulton. 2001. An Infrared and X-ray Absorption Study of the Equilibria and Structures of Chromate, Bichromate and Dichromate in Ambient Aqueous Solutions. Journal of Physical Chemistry A 105. PNNL-SA-34192. Hu J., C.M. Taylor, R.J. Pugmire, and D.M. Grant. 2001. A Novel Dipolar Dephasing Method for the Slow Magic Angle Turning Experiment. Journal of Magnetic Resonance 152, no. 1:7-13. PNNL-SA-35489. doi:10.1006/jmre.2001.2380Jiang W., W.J. Weber, and S. Thevuthasan. 2001. Damage Accumulation and Recovery in Gold-Ion-Irradiated Barium Titanate. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 175. PNNL-SA-33658. Jiang W., W.J. Weber, and S. Thevuthasan. 2001. Ion Implantation and Thermal Annealing in Silicon Carbide and Gallium Nitride. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 178. PNNL-SA-33338. Jiang W., W.J. Weber, S. Thevuthasan, and V. Shutthanandan. 2001. Accumulation and Recovery of Disorder on Silicon and Carbon Sublattices in Ion-Irradiated 6H-SiC. Journal of Nuclear Materials 289, no. 1-2:96-101. PNNL-SA-33339. Jiang W., W.J. Weber, S. Thevuthasan, and V. Shutthanandan. 2001. Multi-Axial Channeling Study of Disorder in Gold Implanted 6H-SiC. In Silicon Carbide - Materials, Processing, and Devices. Symposium, 27-29 Nov. 2000, Boston, MA, Materials Research Society Symposium Proceedings, edited by AK Agarwal, JA Cooper, Jr., E Janzen, M Skowronski, 640, H6.3(1-6). Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-33972. Jiang W., W.J. Weber, S. Thevuthasan, and V. Shutthanandan. 2001. Properties of Gallium Disorder and Gold Implants in GaN. In Ion Beam Synthesis and Processing of Advanced Materials, Materials Research Society Symposium Proceedings, edited by DB Poker, SC Moss, K-H Heinig, 647, O5.9(1-6). Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-33950. Jiang W., W.J. Weber, S. Thevuthasan, and V. Shutthanandan. 2001. Simultaneous Analysis of Multiple Elements by Combined Ion-Beam Methods. In Application of Accelerators in Research and Industry. Sixteenth International Conference, 1-5 Nov. 2000, Denton, TX., edited by J. L. Duggan and I.L. Morgan, 447-450. Woodbury, New York:American Institute of Physics. PNNL-SA-33771. Joly A.G., W. Chen, J. Roark, and J.Z. Zhang. 2001. Temperature Dependence of Up-Conversion Luminescence and Photoluminescence of Mn2+ in ZnS:Mn2+ Nanoparticles. Journal of Nanoscience and Nanotechnology 1, no. 3:295-301. PNNL-SA-35236. Kathmann S.M., and B.N. Hale. 2001. Monte Carlo Simulations of Small Sulfuric Acid - Water Clusters. Journal of Physical Chemistry B 105, no. 47:11719-11728. PNNL-SA-35096. Koga T., S. Zhou, B. Chu, J.L. Fulton, S. Yang, C. Ober, and B. Erman. 2001. High-Pressure Cell for Simultaneous Small-Angle X-ray Scattering and Laser Light Scattering Measurements. Review of Scientific Instruments 72, no. 6:2679-2685. PNNL-SA-33787. Kouzes R.T., and J.L. Fuller. 2001. Authentication of Monitoring Systems for Non-Proliferation and Arms Control. In Symposium on International Safeguards: Verification and Nuclear Material Security, IAEA-SM-367/17/05. Vienna:International Atomic Energy Agency. PNNL-SA-35296. Kouzes R.T., J.L. Fuller, B.D. Geelhood, R.R. Hansen, and W.K. Pitts. 2001. Authentication of Radiation Measurement Systems for Non-Proliferation. In IEEE Nuclear Science Symposium, 2, 1021-1027. Piscataway, New Jersey:I E E E. PNNL-SA-34871. Lea A.S., J.E. Amonette, D.R. Baer, Y. Liang, and N.G. Colton. 2001. Microscopic Effects of Carbonate, Manganese, and Strontium ions on Calcite Dissolution. Geochimica et Cosmochimica Acta 65, no. 3:369-379. PNNL-SA-32129. Levitsky I., S.G. Krivoshlykov, and J.W. Grate. 2001. Rational Design of a Nile Red/Polymer Composite Film for Fluorescence Sensing of Organophosphonate Vapors using Hydrogen Bond Acidic Polymers. Analytical Chemistry 73, no. 14:3441-3448. PNNL-SA-33608. Levitsky I., S.G. Krivoshlykov, and J.W. Grate. 2001. Signal Amplification in Multichromophore Luminescence-Based Sensors. Journal of Physical Chemistry B 105, no. 35:8468-8473. PNNL-SA-34285. Liang Y., S. Gan, S.A. Chambers, and E.I. Altman. 2001. Surface Structure of Anatase TiO2(001): Reconstruction, Atomic Steps, and Domains. Physical Review. B, Condensed Matter and Materials Physics 63, no. 23:235402-235409. PNNL-SA-43516. Liang Y., S. Gan, S.A. Chambers, and E.I. Altman. 2001. Surface Structures of Anatase TiO2(001): Reconstruction, Atomic Steps, and Domains. Physical Review. B, Condensed Matter 6323, no. 23:5402. PNNL-SA-33874. Lin Y., C. Timchalk, D.W. Matson, H. Wu, and K.D. Thrall. 2001. Integrated Microfluidics/Electrochemical Sensor System for Monitoring of Environmental Exposures to Lead and Chlorophenols. Biomedical Microdevices 3, no. 4:331-338. PNNL-SA-33862. Lin Y., G.E. Fryxell, H. Wu, and M.H. Engelhard. 2001. Selective Sorption of Cesium Using Self-Assembled Monolayers on Mesoporous Supports. Environmental Science & Technology 35, no. 19:3962-3966. PNNL-SA-34957. Lin Y., H. Wu, N.G. Smart, and C.M. Wai. 2001. Studies on In-situ Chelation/Supercritical Fluid Extraction of Lanthanides and Actinides Using a Radiotracer Technique. Separation Science and Technology 36, no. 5 & 6:1149-1162. PNNL-SA-32515. Linehan J.C., C.R. Yonker, R.S. Addleman, T. Autrey, J.T. Bays, T.E. Bitterwolf, and J.L. Daschbach. 2001. Solvent Study of the Kinetics of Molybdenum Radical Self-Termination. Organometallics 20, no. 3:401-407. PNNL-SA-34196. Maki A.G., T.A. Blake, R.L. Sams, N. Vulpanovici, J.B. Barber, E. Chrysostom, and T. Masiello, et al. 2001. High Resolution Infrared Spectra of the v2, v3, v4 and 2v3 Bands of 32S16O3. Journal of Molecular Spectroscopy 210. PNNL-SA-35117. Matocha C.J., D.L. Sparks, J.E. Amonette, and R.K. Kukkadapu. 2001. Kinetics and Mechanism of Birnessite Reduction by Catechol. Soil Science Society of America Journal 65. PNNL-SA-32700. Mccord T.B., T.M. Orlando, G.R. Teeter, G.B. Hansen, M.T. Sieger, N.G. Petrik, and L.M. Van Keulen. 2001. Thermal and Radiation Stability of the Hydrated Salt Minerals Epsomite, Mirabilite and Natron Under Europa Environmental Conditions. Journal of Geophysical Research. Planets 106, no. E2:3311-3319. PNNL-SA-33290. McGrail B.P., D.H. Bacon, J.P. Icenhower, F.M. Mann, R.J. Puigh, H.T. Schaef, and S.V. Mattigod. 2001. Near-Field Performance Assessment for a Low-Activity Waste Glass Disposal System: Laboratory Testing to Modeling Results. Journal of Nuclear Materials 298, no. 1-2:95-111. PNNL-SA-35379. McGrail B.P., J.P. Icenhower, D.K. Shuh, P. Liu, J.G. Darab, D.R. Baer, and S. Thevuthasan, et al. 2001. The Structure of Na2O-Al2O3-SiO2 Glass: Impact on Sodium Ion Exchange in H2O and D2O. Journal of Non-crystalline Solids 296. PNNL-SA-33877. McGrail B.P., J.P. Icenhower, P.F. Martin, H.T. Schaef, M.J. O'Hara, E. Rodriguez, and J.L. Steele. 2001. Waste Form Release Data Package for the 2001 Immobilized Low-Activity Waste Performance Assessment Richland, WA: Pacific Northwest National Laboratory. Waste Form Release Data Package for the 2001 Immobilized Low-Activity Waste Performance AssessmentMcKinley J.P., C.j. Zeissler, J.M. Zachara, R.J. Serne, R.M. Lindstrom, H.T. Schaef, and R.D. Orr. 2001. Distribution and Retention of 137Cs in Sediments at the Hanford Site, Washington. Environmental Science & Technology 35, no. 17:3433-3441. PNNL-SA-33709. Mcrae R., G.K. Schenter, B.C. Garrett, Z. Svetlicic, and D.G. Truhlar. 2001. Variational transition state theory evaluation of the rate constant for proton transfer in a polar solvent. Journal of Chemical Physics 115. PNNL-SA-34983. Panov A.G., M.L. Balmer, I.S. Yoon, A.C. Ebeling, R.G. Tonkyn, and S.E. Barlow. 2001. Effect of Simulated Diesel Exhaust Gas Composition and Temperature on NOx Reduction of Alumina and Zeolite Catalysts in Combination with Non-Thermal Plasma. In International Fuel and Lubricants Meeting and Exposition (paper no. 2000-01-2964). Warrendale, Pennsylvania:SAE International. PNNL-SA-33868. Panov A.G., R.G. Tonkyn, M.L. Balmer, C.H. Peden, A. Malkin, and J. Hoard. 2001. Selective Reduction of NOx in Oxygen Rich Environment with Plasma-Assisted Catalysis: Role of Plasma and Reactive Intermediates. In Non-thermal plasma emission control systems : 2001 SAE Fuels and Lubricants Meeting and Exposition, SAE SP, edited by Balmer, M.L.; Fisher, G.; Hoard, J., 1639, 43-48. Warrendale, Pennsylvania:The SAE. PNNL-SA-34613. Petrik N.G., A.B. Alexandrov, and A.I. Vall. 2001. Interfacial Energy Transfer during Gamma Radiolysis of Water on the Surface of ZrO2 and Some Other Oxides. Journal of Physical Chemistry B 105, no. 25:5935-5944. PNNL-SA-33910. Peurrung A.J., R.J. Arthur, R.J. Elovich, B.D. Geelhood, R.T. Kouzes, S.L. Pratt, and R.D. Scheele, et al. 2001. The 871 keV Gamma Ray From O-17 and the Identification of Plutonium Oxide. Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 474, no. 3:285-293. PNNL-SA-33134. Riley R.G., C.J. Thompson, M.H. Huesemann, Z. Wang, B.M. Peyton, T.J. Fortman, and M.J. Truex, et al. 2001. Artificial Aging of Phenanthrene in Porous Silicas Using Supercritical Carbon Dioxide. Environmental Science & Technology 35, no. 18:3707-3712. PNNL-SA-34512. Rosso K.M. 2001. The Structure and Reactivity of Semiconducting Mineral Surfaces: Convergence of Molecular Modeling and Experiment. In Molecular Modeling Theory and Applications in the Geosciences, Reviews in Mineralogy & Geochemistry, edited by Randy T. Cygan and James D. Kubicki. 199-271. Washington, District Of Columbia:Mineralogical Society of America. PNNL-SA-33283. Rosso K.M., and J.R. Rustad. 2001. The Structures and Energies of AlOOH and FeOOH Polymorphs from Plane Wave Pseudopotential Calculations. The American Mineralogist 86. PNNL-SA-33756. Rosso K.M., J.R. Rustad, and E.J. Bylaska. 2001. The Cs/K Exchange in Muscovite Interlayers: An Ab Initio Treatment. Clays and Clay Minerals 49, no. 6:500-513. PNNL-SA-33920. Sams R.L., T.A. Blake, and S.W. Sharpe. 2001. Cool Spectroscopy Using High Resolution Fourier Transform Infrared Spectroscopy. In Fourier Transform Spectroscocpy, OSA Trends in Optics and Photonics, edited by A. Sawchuk, 51, paper FThB2. Washington Dc, District Of Columbia:Optical Society of America. PNNL-SA-33750. Schiller C.L., S. Locquiao, T.J. Johnson, and G.W. Harris. 2001. Atmospheric Measurements of HONO by Tunable Diode Laser Absorption Spectroscopy. Journal of Atmospheric Chemistry 40, no. 3:275-293. PNWD-SA-5243. Sharpe S.W., R.L. Sams, T.J. Johnson, and P.M. Chu. 2001. Intensity Artifacts in Gas Phase FTIR Spectroscopy: Focus on the Aperture. In Fourier Transform Spectroscopy, 2001. Trends in Optics and Photonics, 51, 123-127. Washington, District Of Columbia:Optical Society of America. PNNL-SA-33754. Shin Y., J. Liu, J.H. Chang, Z. Nie, and G.J. Exarhos. 2001. Hierarchically Ordered Ceramics through Surfactant-Templated Sol-Gel Mineralization of Biological Cellular Structures. Advanced Materials 13, no. 10:728-732. PNNL-SA-34092. Shin Y., J.H. Chang, J. Liu, R.E. Williford, Y. Shin, and G.J. Exarhos. 2001. Hybrid Nanogels for Sustainable Positive Thermosensitive Drug Release. Journal of Controlled Release 73, no. 2001:1-6. PNNL-SA-34146. Shin Y., J.H. Chang, J. Liu, R.E. Williford, Y. Shin, and G.J. Exarhos. 2001. Hybrid Nanogels for Sustainable Positive Thermosensitive Drug Release. Journal of Controlled Release. PNNL-SA-34063. Shutthanandan V., S. Thevuthasan, D.R. Baer, E.M. Adams, S. Maheswaran, M.H. Engelhard, and J.P. Icenhower, et al. 2001. Investigation of Alkali Ion Exchange Processes in Waste Glasses Using Rutherford Backscattering Spectrometry and Nuclear Reaction Analysis. In Applications of Accelerators in Research and Industry: sixteenth international conference, Denton, Texas, 1-5 November 2000, AIP Conference Proceedings, edited by J. L. Duggan and I.L. Morgan, 576, 454-457. New York, New York:American Institute of Physics. PNNL-SA-34289. Shutthanandan V., S. Thevuthasan, J.S. Young, T.M. Orlando, and W.J. Weber. 2001. Hydrogen-Damage Interactions in Yttrium-Stabilized Zirconia. Journal of Nuclear Materials 289, no. 1-2:128-135. PNNL-SA-33183. Shutthanandan V., S. Thevuthasan, Y.J. Kim, and C.H. Peden. 2001. Channeling Studies of CeO2 and Ce1-xZrxO2 Films on Yttria-Stabilized ZrO2(111). In Materials Research Society 2000 Fall Meeting Symposium on Structure-Property Relationships of Oxide Surfaces and Internal Interfaces, 654, Art. No. AA2.6. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-34038. Tang K., Y. Lin, D.W. Matson, T. Kim, and R.D. Smith. 2001. Generation of Multiple Electrosprays Using Microfabricated Emitter Arrays for Improved Mass Spectrometric Sensitivity. Analytical Chemistry 73, no. 8:1658-1663. PNNL-SA-34087. Thevuthasan S., V. Shutthanandan, W. Jiang, and W.J. Weber. 2001. Ion Beam Slicing of Single Crystal Oxide Thin Films. In Ion Beam Synthesis and Processing of Advanced Materials, Materials Research Society Symposium Proceedings, edited by DB Poker, SC Moss, K-H Heinig, 647, O6.2(1-6). Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-34039. Thevuthasan S., W. Jiang, and W.J. Weber. 2001. Cleaving Oxide Films Using Hydrogen Implantation. Materials Letters 49, no. 6:313-317. PNNL-SA-32837. Thevuthasan S., W. Jiang, V. Shutthanandan, and W.J. Weber. 2001. Accumulation and Thermal Recovery of Disorder in Au2?-Irradiated SrTiO3. Journal of Nuclear Materials 289, no. 1-2:204-209. PNNL-SA-34216. Timchalk C., T.S. Poet, Y. Lin, K.K. Weitz, R. Zhao, and K.D. Thrall. 2001. Development of an Integrated Micro-Analytical System for Lead in Saliva and Linkage to a Physiologically Based Pharmacokinetic Model Describing Lead Saliva Secretion. American Industrial Hygiene Association Journal 62, no. 3:295-302. PNNL-SA-32610. Wang X.B., E.R. Vorpagel, X. Yang, and L.S. Wang. 2001. Experimental and Theoretical Investigations of the Stability, Energetics, and Structures of H2PO4?, H2P2O7²?, and H3P3O10²? in the Gas Phase. Journal of Physical Chemistry A 105, no. 45:10468-10474. PNNL-SA-45042. doi:10.1021/jp013244uWang X.B., X. Yang, J.B. Nicholas, and L.S. Wang. 2001. Bulk-Like Features in the Photoemission Spectra of Hydrated Doubly Charged Anion Clusters. Science 294, no. 5545:1322-1325. PNNL-SA-35319. Wang Z., D. Friedrich, C.C. Ainsworth, S.L. Hemmer, A.G. Joly, and M.R. Beversluis. 2001. Ground-State Proton Transfer Tautomer of Al(III)-Salicylate Complexes in Ethanol Solution. Journal of Physical Chemistry A 105, no. 5:942-950. PNNL-SA-33421. Wang Z., D. Friedrich, M.R. Beversluis, S.L. Hemmer, A.G. Joly, M.H. Huesemann, and M.J. Truex, et al. 2001. A Fluorescence Spectroscopic Study of Phenanthrene Sorbed on Porous Silica. Environmental Science & Technology 35, no. 13:2710-2716. PNNL-SA-33334. Wang Z., L.J. Van De Burgt, and G.R. Choppin. 2001. Spectroscopic Study of Lanthanide (III) Complexes with Aliphatic Dicarboxylic Acids. Inorganica Chimica Acta 310. PNNL-SA-33666. Wang Z., R.C. Moore, A.R. Felmy, M.J. Mason, and R.K. Kukkadapu. 2001. A Study of the Corrosion Products of Mild Steel in High Ionic Strength Brines. Waste Management 21. PNNL-SA-33315. Wang Z., S.L. Hemmer, D. Friedrich, and A.G. Joly. 2001. Anthracene as the Origin of the Red-Shifted Emission from Commercial Zone-Refined Phenanthrene Sorbed on Mineral Surfaces. Journal of Physical Chemistry A 105, no. 25:6020-6023. PNNL-SA-33335. Weber W.J., W. Jiang, and S. Thevuthasan. 2001. Accumulation, Dynamic Annealing and Thermal Recovery of Ion-Beam-Induced Disorder in Silicon Carbide. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 175-177. PNNL-SA-33657. Wind R.A., J. Hu, and D.N. Rommereim. 2001. High Resolution 1H NMR Spectroscopy in Organs and Tissues Using Slow Magic Angle Spinning. Magnetic Resonance in Medicine 46, no. 2:213-218. PNNL-SA-34181. Wu K., M.J. Iedema, G.K. Schenter, and J.P. Cowin. 2001. Sculpting the Oil-Water Interface to Probe Ion Solvation. Journal of Physical Chemistry B 105, no. 13:2483-2498. PNNL-SA-33634. Zemanian T.S., G.E. Fryxell, J. Liu, S.V. Mattigod, Y. Shin, J.A. Franz, and O.A. Ustyugov, et al. 2001. Chemical Functionalization of Nanostructured Materials Using Supercritical Reaction Media. In IEEE-NANO 2001 : proceedings of the 2001 1st IEEE Conference on Nanotechnology, October, 28-30, 2001, Maui, Hawaii /, 288-292. New York, New York:IEEE. PNNL-SA-35244.

2000

Alexandrov A.B., M. Piacentini, R.G. Tonkyn, M.T. Sieger, N. Zema, and T.M. Orlando. 2000. Electron-Stimulated Desorption of Iodine Atoms from KI(100): An Energy and Temperature Dependent Study. Surface Science 451, no. 1-3:208-213. PNNL-SA-32118. Amonette J.E., D.J. Workman, D.W. Kennedy, J.S. Fruchter, and Y.A. Gorby. 2000. Dechlorination of Carbon Tetrachloride by Fe(II) Associated with Goethite. Environmental Science & Technology 34. PNNL-SA-32646. Baskaran S., J. Liu, K. Domansky, N.J. Kohler, X.H. Li, C.A. Coyle, and G.E. Fryxell, et al. 2000. Low Dielectric Constant Mesoporous Silica Films Through Molecularly Templated Synthesis. Advanced Materials 12, no. 4:291-294. PNNL-SA-33058. Beck K.M., A.G. Joly, and W.P. Hess. 2000. Time-resolved Femtosecond Laser Induced Desorption from Magnesium Oxide and Lithium Fluoride Single Crystals. Surface Science 451. PNNL-SA-31461. Beck K.M., A.G. Joly, and W.P. Hess. 2000. Time-Resolved Femtosecond Laser-Induced Desorption from Magnesium Oxide and Lithium Fluoride Single Crystals. Surface Science 451, no. 1-3:166-173. PNNL-SA-33218. Begg B.D., W.J. Weber, R. Devanathan, J.P. Icenhower, S. Thevuthasan, and B.P. McGrail. 2000. Heavy-Ion Irradiation Effects in Pyrochlores. In Environmental Issues and Waste Management Technologies in the Ceramic and Nuclear Industries V, Ceramic Transactions, edited by G.T. Chandler and X. Feng, 107, 553-560. Westerville, Ohio:The American Ceramic Society. PNNL-SA-31013. Bitterwolf T.E., J.C. Linehan, and J.E. Shade. 2000. Dihydrogen as a Reactant in the Photochemistry of Bimetallic Cyclopentadienyl Carbonyl Compounds. Organometallics 19, no. 23:4915-4917. PNNL-SA-34193. doi:10.1021/om000292cBlake T.A., S.W. Sharpe, and S.S. Xantheas. 2000. Rotationally Resolved Spectroscopy of a Librational Fundamental Band of Hydrogen Fluoride Tetramer. Journal of Chemical Physics 113, no. 2:707-718. PNNL-SA-32713. Brown G.E., S.A. Chambers, J.E. Amonette, J.R. Rustad, T. Kendelewicz, P. Liu, and C.S. Doyle, et al. 2000. Interaction of Aqueous Chromium Ions with Iron Oxide Surfaces. In Nuclear Site Remediation: First Accomplishments of the Environmental Management Science Program. ACS Symposium Series, edited by Eller, P. Gary; Heineman, William R. 212-246. Washington Dc:American Chemical Society. PNNL-SA-43343. Bruckner-Lea C.J., L. Brown, D.A. Holman, L. Olson, and J.W. Grate. 2000. Biomolecular Interaction Assay. In Meeting Abstracts. The 198th Meeting of the Electrochemical Society, Hyatt Regency Phoenix, October 22-27, 2000, 2002-2, 1180. Phoenix, Arizona:The Electrochemical Society. PNNL-SA-33267-A. Bruckner-Lea C.J., M.R. Stottlemyre, D.A. Holman, J.W. Grate, F.J. Brockman, and D.P. Chandler. 2000. Rotating Rod Renewable Microcolums for Sutomated, Solid-Phase DNA Hybridization. Analytical Chemistry 72, no. 17:4135-4141. PNNL-SA-32763. Bruckner-Lea C.J., N.C. Anheier, D.A. Holman, T. Tsukuda, M.T. Kingsley, F.J. Brockman, and J.M. Price, et al. 2000. Integrated Systems for DNA Sample Preparation and Detection in Environmental Samples. In Biochemical and Biomolecular Sensing, SPIE Proceedings, 6-7 November 2000, Boston, USA, edited by Robert A. Lieberman, 4200, 74-81. Bellingham, Washington:International Society for Optical Engineering. PNNL-SA-32983. Bylaska E.J., D.A. Dixon, and A.R. Felmy. 2000. The Free Energies of Reactions of Chlorinated Methanes with Aqueous Monovalent Anions: Applications of ab initio Electronic Structure Theory. Journal of Physical Chemistry A 104, no. 3:610-617. PNNL-SA-31383. Bylaska E.J., R. Kawai, and J.H. Weare. 2000. From Small to Large Behavior: The Transition from the Aromatic to the Peierls Regime in Carbon Rings. Journal of Chemical Physics 113, no. 15:6096-6106. PNNL-SA-33659. Chambers S.A. 2000. Epitaxial Growth and Properties of Thin Film Oxides. Surface Science Reports 39, no. 5-6:105-180. PNNL-SA-33150. Chambers S.A., S. Thevuthasan, and S.A. Joyce. 2000. Surface Structure of MBE-Grown Fe3O4(001) by X-Ray Photoelectron Diffraction and Scanning Tunneling Microscopy. Surface Science 450, no. 2000:L273-L279. PNNL-SA-32199. Chambers S.A., Y. Liang, and Y. Gao. 2000. Noncommutative Band Offset At Alpha-Cr2O3/Alpha-Fe2O3 (0001) Heterojunctions. Physical Review. B, Condensed Matter 61, no. 19:13223-13229. PNNL-SA-31283. Chambers S.A., Y. Liang, Z. Yu, R. Droopad, J. Ramdani, and K. Eisenbeiser. 2000. Band Discontinuities at Epitaxial SrTiO3/Si(001)Heterojunctions. Applied Physics Letters 77, no. 11:1662-1664. PNNL-SA-33474. Cho H.M. 2000. Hydrogen bonding interaction in Phase A [Mg7Si2O8(HO)6)] at ambient and high pressure. Physics and Chemistry of Minerals 27, no. 4:225-233. PNNL-SA-30796. Elder S.H., F. Cot, Y. Su, S.M. Heald, A.M. Tyryshkin, M.K. Bowman, and Y. Gao, et al. 2000. The Discovery and Study of Nanocrystalline TiO2-(MoO3) Core-Shell Materials. Journal of the American Chemical Society 122, no. 21:5138-5146. PNNL-SA-33714. Franz J.A., D.M. Camaioni, T. Autrey, J.C. Linehan, and M.S. Alnajjar. 2000. Measurement of Select Radical Processes in Hydrocarbon Pyrolysis. Journal of Analytical and Applied Pyrolysis 54, no. 1-2:37-64. PNNL-SA-31521. Fruchter J.S., C.R. Cole, M.D. Williams, V.R. Vermeul, J.E. Amonette, J.E. Szecsody, and J.D. Istok, et al. 2000. Creation of a Subsurface Permeable Treatment Zone for Aqueous Chromate Contaminatioin Using In Situ Redox Manipulation. Ground Water Monitoring and Remediation 20, no. 2:66-77. PNNL-SA-32701. Fryxell G.E., J. Liu, S.V. Mattigod, L.Q. Wang, Y. Lin, X. Feng, and T.A. Hauser, et al. 2000. Environmental Applications of Interfacially Modified Mesoporous Ceramics. In Environmental Issues and Waste Management Technologies in the Ceramic and Nuclear Industries V, edited by G. T. Chandler and X. Feng, 107, 29-37. Westerville, Ohio:American Ceramic Society. PNNL-SA-45567. Fulton J.L., M.M. Hoffmann, and J.G. Darab. 2000. An X-ray Absorption Fine Structure Study of Copper(I) Chloride Coordination Structure in Water up to 325 degrees C. Chemical Physics Letters 330, no. 3-4:300-308. PNNL-SA-33408. Fulton J.L., M.M. Hoffmann, J.G. Darab, B.J. Palmer, and E.A. Stern. 2000. Copper(I) and Copper(II) Coordination Structure under Hydrothermal Conditions at 325 degrees C: An X-ray Absorption Fine Structure and Molecular Dynamics Study. Journal of Physical Chemistry A 104, no. 49:11651-11663. PNNL-SA-33219. Gao Y., C.L. Perkins, T.T. Tran, S. Thevuthasan, and M.A. Henderson. 2000. Mechanistic Study of Metalorganic Chemical Vapor Deposition of (Ba,Sr)TiO3 Thin Films. Journal of Applied Physics 87(10), no. May 15 2000:7430-7437. PNNL-SA-32229. Gao Y., S. Thevuthasan, D.E. McCready, and M.H. Engelhard. 2000. MOCVD Growth and Structure of Nb- and V-doped TiO2 Films on Sapphire. Journal of Crystal Growth 212, no. 1-2:178-190. PNNL-SA-30453. Gibbs G.V., K.M. Rosso, D.M. Teter, M.B. Boisen, Jr., and M.T. Bukowinski. 2000. Model Structures and Electron Density Distributions of the Silica Polymorph Coesite at Pressure: An assesment of OO bonded interactions. Journal of Physical Chemistry B 104, no. 45:10534-10542. PNNL-SA-32444. Grate J.W. 2000. Acoustic Wave Microsensor Arrays for Vapor Sensing. Chemical Society Reviews 100, no. 7:2627-2647. PNNL-SA-32072. Grate J.W., and E.T. Zellers. 2000. The Fractional Free Volume of the Sorbed Vapor in Modeling the Viscoelastic Contribution to Polymer-Coated Surface Acoustic Wave Vapor Sensor Responses. Analytical Chemistry 72, no. 13:2861-2868. PNNL-SA-32297. Grate J.W., S.N. Kaganove, and D.A. Nelson. 2000. Carbosiloxane Polymers for Chemical Sensors. Chemical Innovation 30 (11), no. November 2000:29-37. PNNL-SA-33360. Henderson M.A., and S.A. Chambers. 2000. HREELS, TPD and XPS Study of the Interaction of Water with the Alpha-Cr2O3(001) Surface. Surface Science 449, no. 1-3:135-150. PNNL-SA-32200. Hoffman M.M., and J.L. Fulton. 2000. Corrosion of Nickel Metal by a Hydrothermal Sodium Tungstate Solution Observed by in situ IR Spectroscopy. Corrosion 56. PNNL-SA-32399. Hoffman M.M., S. Addleman, and J.L. Fulton. 2000. Short-Pathlength, High-Pressure Flow Cell for Static and Time-Resolved Infrared Spectroscopy , suitable for Supercritical Fluid Solutions Inlcuding Hydrothermal Systems. Review of Scientific Instruments 71, no. 3:1552-1556. PNNL-SA-32251. doi:10.1063/1.1150493Hoffmann M.M., J.G. Darab, S.M. Heald, C.R. Yonker, and J.L. Fulton. 2000. New Experimental Developments for In Situ XAFS Studies of Chemical Reactions under Hydrothermal Conditions. Chemical Geology 167, no. 1-2:89-103. PNNL-SA-30721. Hoffmann M.M., J.S. Young, and J.L. Fulton. 2000. Unusual Dysprosium Ceramic nano-fiber Growth in a Supercritical Aqueous Solution. Journal of Materials Science 35(16), no. Aug 2000:4177-4183. PNNL-SA-31246. Hu J., M.S. Solum, R.A. Wind, B.L. Nilsson, M.A. Peterson, R.J. Pugmire, and D.M. Grant. 2000. 1H and 15N Dynamic Nuclear Polarization Studies of Carbazole. Journal of Physical Chemistry A 104. PNNL-SA-35513. Icenhower J.P., B.P. McGrail, H.T. Schaef, and E.A. Cordova. 2000. Dissolution Kinetics of Titanium Pyrochlore Ceramics at 90?C by Single-Pass Flow-Through Experiments. In Scientific Basis for Nuclear Waste Management XXIII, edited by R.W. Smith and D.W. Shoesmith, 23, 373-378. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-31804. Jiang W., S. Thevuthasan, W.J. Weber, and R. Grotzschel. 2000. Deuterium Channeling Analysis for He(+)-Implanted 6H-SiC. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 161-163. PNNL-SA-31548. Jiang W., W.J. Weber, and S. Thevuthasan. 2000. In-situ Ion Channeling Study of Gallium Disorder and Gold Profiles in Au-implanted GaN. Journal of Applied Physics 87, no. 11:7671-7678. PNNL-SA-32606. Jiang W., W.J. Weber, S. Thevuthasan, and S.X. 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High Performance Computational Chemistry: An Overview of NWChem a Distributed Parallel Application. Computer Physics Communications 128, no. 1 - 2:260 - 283. PNNL-SA-27337. Kendelewicz T., P. Liu, C.S. Doyle, G.E. Brown Jr., E.J. Nelson, and S.A. Chambers. 2000. Reaction of Water with the (100) and (111) Surfaces of Fe3O4. Surface Science 453, no. 1-3:32-46. PNNL-SA-33145. doi:10.1016/S0039-6028(00)00305-8Kouzes R.T., and B.D. Geelhood. 2000. Methods for Attribute Measurement and Alternatives to Multiplicity Counting Richland, WA: Pacific Northwest National Laboratory. PNNL-13250Lafferty W., J. Flaud, R.L. Sams, T.A. Blake, and S.W. Sharpe. 2000. High-Resolution Infrared Spectrum of the Ring-Puckering Band, nu(10), of Diborane. Journal of Molecular Spectroscopy 201, no. 2:285-291. PNNL-SA-32522. Li H., L. Li, J.D. Vienna, M. Qian, Z. Wang, J.G. Darab, and D.K. Peeler. 2000. Neodymium (III) in Alumino-Borosilicate Glasses. Journal of Non-crystalline Solids 278, no. 1-3:35-57. PNNL-SA-33159. Lin Y., D.W. Matson, D.E. Kurath, J.Y. Wen, F. Xiang, W.D. Bennett, and P.M. Martin, et al. 2000. Microfluidic Devices on Polymer Substrates for Bioanalytical Applications. In 3rd International Conference on Microreaction Technology; Microreaction Technology: Industrial Prospects IMRET 3, April 1999., 451-460. New York, New York:Springer. PNNL-SA-31717. Lin Y., D.W. Matson, W.D. Bennett, K.D. Thrall, and C. Timchalk. 2000. Integrated Microfluidics/Electrochemical Sensor System for Field-Monitoring of Toxic Metals. In Microreaction technology: industrial prospects: IMRET 3 : proceedings of the Third International Conference on Microreaction Technology, edited by W. Ehrfeld, 588-596. Berlin:Springer. PNNL-SA-45661. Lin Y., H. Wu, C.M. Wai, and N.G. Smart. 2000. Separation of Divalent Transition Metal Beta-Diketonates and Their Adducts By Supercritical Fluid Chromatography. Talanta 52, no. 4:695-701. PNNL-SA-32516. Liu J., G.E. Fryxell, S.V. Mattigod, T.S. Zemanian, Y. 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Proc., 608, 345-352. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-31745. Peden C.H., G.S. Herman, S.A. Chambers, Y. Gao, Y.J. Kim, and D.N. Belton. 2000. Model Studies of Automobile Exhaust Catalysis Using Single Crystals of Rhodium and Ceria/Zirconia. In 12th International Congress on Catalysis, Studies in Surface Science and Catalysis, 130, part B, 1367-1372. Amsterdam, :Elsevier. PNNL-SA-33843. Petrik N.G., K. Knutsen, E. Paparazzo, A.S. Lea, D.M. Camaioni, and T.M. Orlando. 2000. Electron Beam Induced Damage of NaNO3 Single Crystals: An Energy, Temperature, and Quantum State Resolved Study. Journal of Physical Chemistry B 104, no. 7:1563-1571. PNNL-SA-32130. Rosso K.M., and J.R. Rustad. 2000. Ab Initio Calculation of Homogeneous Outer Sphere Electron Transfer Rates: Application to M(OH2)(6)(3+/2+) Redox Couples. Journal of Physical Chemistry A 104, no. 29:6718-6725. PNNL-SA-32385. Rosso K.M., U. Becker, and M.F. Hochella. 2000. Surface Defects and Self-Diffusion on Pyrite {100}: an Ultra-High Vacuum Scanning Tunneling Microscopy and Theoretical Modeling Study. The American Mineralogist 85. PNNL-SA-32460. Schenter G.K., B.C. Garrett, and G.A. Voth. 2000. The Quantum Vibrational Dynamics of Cl-(H2O)n Clusters. Journal of Chemical Physics 113, no. 13:5171-5178. PNNL-SA-33196. Shin Y., J. Liu, L.Q. Wang, Z. Nie, W.D. Samuels, G.E. Fryxell, and G.J. Exarhos. 2000. Ordered Hierarchical Porous Materials: Towards Tunable Size- and Shape-Selective Microcavities in Nanoporous Channels. Angewandte Chemie International Edition 39, no. 15:2702-2707. PNNL-SA-33975. Shin Y., T.S. Zemanian, G.E. Fryxell, L.Q. Wang, and J. Liu. 2000. Supercritical Processing of Functionalized Size Selective Microporous Materials. Microporous and Mesoporous Materials 37, no. 1-2:49-56. PNNL-SA-32195. Skurski P., J. Simons, X.B. Wang, and L.S. Wang. 2000. Experimental and Theoretical Investigations of the Stability of Two Small Gaseous Dicarboxylate Dianions: Acetylene Dicarboxylate and Succinate. Journal of the American Chemical Society 122, no. 18:4499-4507. PNNL-SA-32859. Small J.R., N.S. Foster, J.E. Amonette, and T. Autrey. 2000. Listening to Colloidal Silica Samples: Simultaneous Measurement of Absorbed and Scattered Light Using Pulsed-Laser Photoacoustics. Applied Spectroscopy 54, no. 8:1142-1150. PNNL--SA-31375. Smith B.A., J.Z. Zhang, A.G. Joly, and J. Liu. 2000. Luminescence Decay Kinetics of Mn2+ Doped ZnS Nanoclusters Grown in Reverse Micelles. Physical Review. B, Condensed Matter 62, no. 3:2021-2028. PNNL-SA-32726. Thevuthasan S., D.E. McCready, W. Jiang, S.I. Yi, S. Maheswaran, K.D. Keefer, and S.A. Chambers. 2000. Ion Beam Analysis of Interface Reactions in Magnetite and Maghemite Thin Films. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 161-163. PNNL-SA-32359. Thevuthasan S., S. Baskaran, K. Domansky, J. Liu, and M.H. Engelhard. 2000. Effectiveness of High Energy Ion Beam Techniques for the Characterization of Mesoporous Low Dielectric-Constant Materials. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 161-163. PNNL-SA-31090. Thevuthasan S., V. Shutthanandan, E.M. Adams, and S. Maheswaran. 2000. High Energy Ion Beam Analysis of Buried alpha-Fe~2O~3(0001)/alpha-Al~2O~3(0001) Interface. In Applications of Accelerators in Research and Industry : sixteenth international conference, Denton, Texas, 1-5 November 2000, AIP Conference Proceedings, edited by J.L. Duggan, I.L. Morgan, 576, 432-435. Melville, New York:American Institute of Physics. PNNL-SA-34287. Thevuthasan S., W. Jiang, J.S. Young, and W.J. Weber. 2000. Investigation of Thermal Recovery Behavior in Hydrogen-Implanted SrTiO3 Using High Energy Ion Beam Techniques. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 161-163. PNNL-SA-31092. Tonkyn R.G., I.S. Yoon, S.E. Barlow, A.G. Panov, A. Kolwaite, and M.L. Balmer. 2000. Lean NOx Reduction in Two Stages: Non-thermal Plasma Followed by Heterogeneous Catalysis. In Non-thermal plasma, 35-42. Baltimore, Maryland:Society of Automotive Engineers Technical Paper Series. PNNL-SA-33611. Wang L.S., and X.B. Wang. 2000. Experimental Observation of a Very High Second Electron Affinity for ZrF6 from Photodetachment of Gaseous ZrF62- Doubly Charged Anions. Journal of Physical Chemistry A 104, no. 19:4429-4432. PNNL-SA-32481. Wang L.S., and X.B. Wang. 2000. Probing Free Multiply Charged Anions Using Photodetachment Photoelectron Spectroscopy. Journal of Physical Chemistry A 104, no. 10:1978-1990. PNNL-SA-32422. Wang L.S., and X.B. Wang. 2000. Probing the Electronic Structure and Metal-Metal Bond of Re2Cl82- in the Gas Phase. Journal of the American Chemical Society 122, no. 9:2096-2100. PNNL-SA-32540. Wang X.B., and L.S. Wang. 2000. Photodetachment of Multiply Charged Anions: The Electronic Structure of Gaseous Square-Planar Trasnition Metal Complexes PtX42- (X=Cl, Br). Journal of the American Chemical Society 122, no. 10:2339-2345. PNNL-SA-32223. Wang X.B., and L.S. Wang. 2000. Probing the Electronic Structure of Redox Species and Direct Determination of Intrinsic Reorganization Energies of Electron Transfer Reactions. Journal of Chemical Physics 112, no. 16:6959-6962. PNNL-SA-32554. Wang X.B., and L.S. Wang. 2000. The Electronic Structure and Electron Affinities of Higher Chlorine Oxide Radicals ClOx (x = 2-4) from Photoelectron Spectroscopy of ClOx- Anions. Journal of Chemical Physics 113, no. 24:10928-10933. PNNL-SA-34043. Wang X.B., J.B. Nicholas, and L.S. Wang. 2000. Electronic Instability of Isolated SO42- and its Solvation Stabilization. Journal of Chemical Physics 113, no. 24:10837-10840. PNNL-SA-34044. Wang X.B., J.B. Nicholas, and L.S. Wang. 2000. Intramolecular Coulomb Repulsion and Anisotropies of the Repulsive Coulomb Barrier in Multiply Charged Anions. Journal of Chemical Physics 113, no. 2:653-661. PNNL-SA-33216. Wang Z., C.C. Ainsworth, D. Friedrich, P.L. Gassman, and A.G. Joly. 2000. Kinetics and Mechanism of Surface Reaction of Salicylate on Alumina in Colloidal Aqueous Suspension. Geochimica et Cosmochimica Acta 64, no. 7:1159-1172. PNNL-SA-30736. Weber W.J., L. Corrales, N.J. Ness, R.E. Williford, H.L. Heinisch, S. Thevuthasan, and J.P. Icenhower, et al. 2000. Radiation Effects in Nuclear Waste Materials Richland, WA: Pacific Northwest National Laboratory. PNNL-13345Weber W.J., W. Jiang, and S. Thevuthasan. 2000. Defect Annealing Kinetics in Irradiated 6H-SiC. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 166-167. PNNL-SA-31477. Weber W.J., W. Jiang, S. Thevuthasan, R.E. Williford, A. Meldrum, and L.A. Boatner. 2000. Ion-Beam-Induced Defects and Defects Interactions in Perovskite-Structure Titanates. In Defects and Surface-Induced Effects in Advanced Perovskites : NATO Advanced Research Workshop on Defects and Surface-Induced Effects in Advanced Perovskites, Jurmala, Latvia, 23-25 August, 1999, edited by G. Borstel, A. Krumins, and D. Millers, 317-328. Dordrecht, The Netherlands, :Kluwer Academic Publishers. PNNL-SA-32032. Wen J.Y., Y. Lin, F. Xiang, D.W. Matson, H.R. Udseth, and R.D. Smith. 2000. Microfabricated Isoelectric Focusing Devices for Direct Electrospray Ionization-Mass Spectrometry. Electrophoresis 21, no. 1:191-197. PNNL-SA-31322. Wind R.A., B. Shi, J. Hu, M.S. Solum, P.D. Ellis, D.M. Grant, and R.J. Pugmire, et al. 2000. H-1 Dynamic Nuclear Polarization in Supercritical Ethylene at 1.4 T. Journal of Magnetic Resonance 143, no. 1:233-239. PNNL-SA-32121. Yantasee W., Y. Lin, K. Hongsirikarn, G.E. Fryxell, S. Addleman, and C. Timchalk. 2000. Electrochemical Sensors for the Detection and Quantification of Lead and Other Toxic Heavy Metals: The Next Generation of Personal Exposure Biomonitors. Environmental Health Perspectives 115, no. 12:1683-1690. PNWD-SA-7818. Zachara J.M., N.S. Foster, J.E. Amonette, E.J. Bylaska, A.R. Felmy, P.L. Gassman, and S.M. Heald, et al. 2000. Annual Report 1999 Environmental Dynamics & Simulation Richland, WA: Pacific Northwest National Laboratory. PNNL-13206

1999

Amonette J.E., F.A. Khan, H. Gan, J.W. Stucki, and A.D. Scott. 1999. Comparison of Oxidimetric, Spectrophotometric, and Mossbauer-Spectroscopic Methods for Determination of Fe(II) in Nonrefractory Minerals. In Clays for our Future: Proceeding 11th International Clay Conference 1997, edited by H. Kodama, A.R. Mermut, and J.K. Torrance, 277-286. Ottawa, :ICC97 Organizing Committee. PNNL-SA-33711. Autrey T., J.C. Linehan, L.E. Kaune, T.R. Powers, E.F. Mcmillan, C.J. Stearns, and J.A. Franz. 1999. FeS Assisted Scission of Strong Bonds in Phenoxydiphenylmethanes. Competition between Hydrogen Atom Transfer and Free Radical Rearrangement Pathways. Energy and Fuels 13, no. 4:927-933. PNNL-SA-30761. Autrey T., N.S. Foster, and K.D. Klepzig. 1999. Nanojoules, Nanoliters and Nanosecond Calorimetry. Journal of Photochemistry and Photobiology. A, Chemistry 125, no. 1-3:13-19. PNNL-SA-30634. Campbell L.W., J.J. Rehr, G.K. Schenter, M.I. Mccarthy, and D.A. Dixon. 1999. XAFS Debye-Waller factors in aqueous Cr+3 from molecular dynamics. Journal of Synchrotron Radiation 6. PNNL-SA-31207. Chambers S.A., and S.A. Joyce. 1999. Surface Termination, Composition and Reconstruction of Fe3O4(001) and gamma-Fe2O3(001). Surface Science 420, no. 2-3:111-122. PNNL-SA-30128. Chambers S.A., and Y. Liang. 1999. Growth of beta-MnO2 Films on TiO2(110) by Oxygen-Plasma-Assisted Molecular Beam Epitaxy. Surface Science 420, no. 2-3:123-133. PNNL-SA-29920. Chandler D.P., D.A. Holman, F.J. Brockman, J.W. Grate, and C.J. Bruckner-Lea. 1999. Renewable microcolumns for solid-phase nucleic acid separations and analysis from environmental samples. Trends in Analytical Chemistry. TrAC 19, no. 5:314-321. PNNL-SA-32197. Cho H.M. 1999. Off-Resonance Multiple-Pulse Dynamics in Solid State NMR Spectroscopy: A Revised Coherent Averaging Theory Analysis. Journal of Magnetic Resonance 141, no. 1:164-179. PNNL-SA-32353. Darab J.G., J.C. Linehan, and B.P. McGrail. 1999. NMR characterization of simulated Hanford low-activity waste glasses and its use in understanding waste form chemical durability. In Scientific Basis For Nuclear Waste Management XXII, Materials Research Society Symposium Procedings, 556, 337-344. Warrendale, :Materials Research Society. PNNL-SA-31651. Ding C., X.B. Wang, and L.S. Wang. 1999. Photodetachment Photoelectron Spectroscopy of Doubly Charged Anions: S2O82-. Journal of Chemical Physics 110, no. 8:3635-3638. PNNL-SA-30624. Egorov O.B., M.J. O'Hara, J.W. Grate, J. Ruzicka, and J. Ruzicka. 1999. Sequential Injection Renewable Separation Column Instrument for Automated Sorbent Extraction Separations of Radionuclides. Analytical Chemistry 71, no. 2:345-352. PNNL-SA-30089. Egorov O.B., S.K. Fiskum, M.J. O'Hara, and J.W. Grate. 1999. Radionuclide Sensors based on Chemically Selective Scintillating Microspheres: Renewable Column Sensor for Analysis of 99Tc in Water. Analytical Chemistry 71, no. 23:5420-5429. PNNL-SA-31465. Foster N.S., J.E. Amonette, and T. Autrey. 1999. In-situ Detection of Chromate Using Photoacoustic Spectroscopy. Applied Spectroscopy 53, no. 6:735-740. PNNL-SA-30236. Foster N.S., T. Autrey, J.E. Amonette, J.R. Small, and E.W. Small. 1999. Laser Photoacoustic Spectroscopy: A Versatile Absorption-Spectroscopic Technique. American Laboratory 31, no. 4:96S-108S. PNNL-SA-30001. Franz J.A., J.C. Linehan, J.C. Birnbaum, K.L. Hicks, and M.S. Alnajjar. 1999. Absolute Rate Expressions for Hydrogen Atom Abstraction from Molybdenum Hydrides by Carbon-Centered Radicals. Journal of the American Chemical Society 121. PNNL-SA-31055. Friedrich D., Z. Wang, A.G. Joly, K.A. Peterson, P.R. Callis, and P.R. Callis. 1999. Ground-state proton-transfer tautomer of the salicylate anion. Journal of Physical Chemistry A 103, no. 48:9644-9653. PNNL-SA-32613. Gao Y., G.S. Herman, S. Thevuthasan, C.H. Peden, and S.A. Chambers. 1999. Epitaxial Growth and Characterization of Ce1-xZrxO2 Thin Films. Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 17, no. 3:961-969. PNNL-SA-30616. Gerber M.A., J.G. Frye, L.E. Bowman, J.L. Fulton, L.J. Silva, and C.M. Wai. 1999. Regeneration of Hydrotreating and FCC Catalysts Richland, WA: Pacific Northwest National Laboratory. PNNL-13025Gibbs G.V., K.M. Rosso, D.M. Teter, M.B. Boisen, Jr., and M.T. Bukowinski. 1999. Model Structure and Properties of the Electron Density Distribution for Low Quartz at Pressure: A Study of the SiO Bond. Journal of Molecular Structure - Theochem 486. PNNL-SA-32445. Goss L.M., S.W. Sharpe, T.A. Blake, V. Vaida, and J.W. Brault. 1999. Direct Absorption Spectroscopy of Water Clusters. Journal of Physical Chemistry A 103, no. 43:8620-8624. PNNL-SA-30425. Grate J.W., and B.M. Wise. 1999. Chemical Information from Polymer-Coated Acoustic Wave Sensor Arrays. In Chemical Microsensors and Applications II; Proceedings SPIE, 3857, 170-173. Bellingham, Alabama:SPIE--International Society for Optical Engineering. PNNL-SA-31221. Grate J.W., and S.N. Kaganove. 1999. Hydrosilylation: A Versatile Reaction for Polymer Synthesis. Polymer News 24, no. 5:149-155. PNNL-SA-29970. Grate J.W., B.M. Wise, and M.H. Abraham. 1999. Method for Unknown Vapor Characterization and Classification Using a Multivariate Sorption Detector. Initial Derivation and Modeling Based on Polymer-coated Acoustic Wave Sensor Arrays and Linear Solvation Energy Relationships. Analytical Chemistry 71, no. 20:4544-4553. PNNL-SA-31026. Grate J.W., O.B. Egorov, and C.J. Bruckner-Lea. 1999. Sequential Injection Separation and Sensing. In Chemical Microsensors and Applications II, Proceedings of SPIE, edited by S. Buttgenbach, 3857, 70-75. Bellingham, Washington:SPIE-The International Society for Optical Engineering. PNNL-SA-30966. Grate J.W., O.B. Egorov, and S.K. Fiskum. 1999. Automated Extraction Chromatographic Separations of Actinides using Separation-Optimized Sequential Injection Techniques. Analyst 124, no. 8:1143-1150. PNNL-SA-30889. Grate J.W., S.J. Patrash, S.N. Kaganove, and B.M. Wise. 1999. Hydrogen Bond Acidic Polymer* for Surface Acou*tic Wave Vapor Sen*or* and Array*. Analytical Chemistry 71, no. 5:1033-1040. PNNL-SA-30349. Grate J.W., S.K. Fiskum, and O.B. Egorov. 1999. Separation-Optimized Sequential Injection Method for Rapid Automated Analytical Separation of Sr-90 in Nuclear Waste. Analyst 124, no. 2:203-210. PNNL-SA-30389. Herman G.S., Y.J. Kim, S.A. Chambers, and C.H. Peden. 1999. Interaction of D2O with CeO2(001) Investigated by Temperature Programmed Desorption and X-ray Photoelectron Spectroscopy. Langmuir 15, no. 11:3993-3997. PNNL-SA-30405. Hess W.P., A.G. Joly, K.M. Beck, R.M. Williams, and J. Dickinson. 1999. Femtosecond Time-Resolved Laser Induced Desorption of Positive Ions from MgO. Applied Physics A, Materials Science and Processing 69. PNNL-SA-31434. Hirschmugl C.J., C.H. Peden, M. Takasaki, M.A. Collins, and S.A. Chambers. 1999. Synchrotron-Based Far-IRAS Investigations of Ice on a Single-Crystal Transition Metal Oxide. In Accelerator-based Sources of Infrared and Spectroscopic Applications, Proceedings of the SPIE, edited by G Lawrence Carr and Paul Dumas, 3775, 167-173. Bellingham, Washington:SPIE- The International Society for Optical Engineering. PNNL-SA-32023. Hoffman M.M., J.G. Darab, J.L. Fulton, and E.A. Stern. 1999. Studying in situ Hydrothermal Reactions with X-ray Absorption Spectroscopy. Mineralogical Magazine 62A. PNNL-SA-32314. Hoffmann M.M., J.G. Darab, B.J. Palmer, and J.L. Fulton. 1999. A Transition in the Ni2+ Complex Structure from Six-to Four- Coordinate upon Formation of Ion Pair Species in Supercritical Water: An X-ray Absorption Fine Structure, Near-infrared, and Molecular Dynamics Study. Journal of Physical Chemistry A 103, no. 42:8471-8482. PNNL-SA-30916. Isaka Y., T. Nakamoto, T. Moriizumi, and J.W. Grate. 1999. Odor Sensing System Using Preconcentrator with Variable Temperature. In Solid-state sensors and actuators; Transducers '99, 2, 1642-1645. Tokyo, :Institute of Electrical Engineers of Japan. PNNL-SA-30666. Istok J.D., J.E. Amonette, C.R. Cole, J.S. Fruchter, M.D. Humphrey, J.E. Szecsody, and S.S. Teel, et al. 1999. In Situ Redox Manipulation by Dithionite Injection: Intermediate-Scale Laboratory Experiments. Ground Water 37, no. 6:884-889. PNNL-SA-32702. Jiang W., S. Thevuthasan, W.J. Weber, and F. Namavar. 1999. Ion-Channeling Study of the SiC/Si/SiO2/Si Interface. Applied Physics Letters 74, no. 23:3501-3503. PNNL-SA-30920. Jiang W., W.J. Weber, and S. Thevuthasan. 1999. Damage Response to Irradiation Temperature and Ion Fluence in C+-Irradiated 6H-SiC. In Microstructural Processes in Irradiated Materials; Materials Research Society Symposium Proceedings, edited by S.J. Zinkle, G. Lucas, R. Ewing, J. Williams, 540, 183-188. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-30628. Jiang W., W.J. Weber, S. Thevuthasan, and D.E. Mccready. 1999. Damage Formation and Recovery in C+ Irradiated 6H-SiC. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 148, no. 1-4:562-566. PNNL-SA-30412. Jiang W., W.J. Weber, S. Thevuthasan, and D.E. Mccready. 1999. Displacement Energy Measurements for Ion-Irradiated 6H-SiC. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 148, no. 1-4:557-561. PNNL-SA-30411. Jiang W., W.J. Weber, S. Thevuthasan, and D.E. McCready. 1999. Rutherford Backscattering Spectrometry Channeling Study of Ion-Irradiated 6H-SiC. Surface and Interface Analysis 27, no. 4:179-184. PNNL-SA-30266. Jiang W., W.J. Weber, S. Thevuthasan, G.J. Exarhos, and B.J. Bozlee. 1999. Effect of Oxygen Ion Implantation in Gallium Nitride. In GaN and related alloys : symposium held November 30-December 4, 1998, Boston, Massachusetts, U.S.A., edited by S.J. Pearton, C. Kuo, A.F. Wright, and T. Uenoyama, 537, 6.15.1 - 6.15.6. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-30627. Joly A.G., K.M. Beck, and W.P. Hess. 1999. Ultrafast and Nanosecond Laser Induced Desorption of Positive Ions from Lithium Fluoride Single Crystals. Applied Physics A, Materials Science and Processing 69. PNNL-SA-31435. Kathmann S.M., G.K. Schenter, and B.C. Garrett. 1999. Dynamical Nucleation Theory: Calculation of Condenstion Rate Constants for Small Water Clusters. Journal of Chemical Physics 111, no. 10:4688-4697. PNNL-SA-31091. Kendelewicz T., P. Liu, C.S. Doyle, G.E. Brown, E.J. Nelson, and S.A. Chambers. 1999. X-ray absorption and photoemission study of the adsorption of aqueous Cr(VI) on single crystal hematite and magnetite surfaces. Surface Science 424, no. 2-3:219-231. PNNL-SA-30291. Kim Y.J., Y. Gao, G.S. Herman, S. Thevuthasan, W. Jiang, D.E. McCready, and S.A. Chambers. 1999. Growth and Structure of Epitaxial CeO2 by Oxygen Plasma-Assisted Molecular Beam Epitaxy. Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 17, no. 3:926-935. PNNL-SA-30229. Kloprogge J.T., S. Komarneni, and J.E. Amonette. 1999. Synthesis of Smectite Clay Minerals: A Critical Review. Clays and Clay Minerals 47, no. 5:529-554. PNNL-SA-29878. Lin Y., J.Y. Wen, X. Fan, D.W. Matson, and R.D. Smith. 1999. Laser Micromachined Isoelectric Focusing Device on Polymer Substrate for Electrospray Mass Spectrometry. In Proceedings of SPIE. Microfluidic Devices and Systems II: September 20-21, 1999, Santa Clara, California, edited by C.H. Ahn and A.B. Frazier, 3877, 28-35. Bellingham, Washington:SPIE. PNNL-SA-31483. Lin Y., R. Zhao, K.D. Thrall, C. Timchalk, W.D. Bennett, and D.W. Matson. 1999. Integration of Microfluidics/Electrochemical System for Trace Metal Analysis by Stripping Voltammetry. In Proceedings of SPIE. Microfludic Devices and Systems II: September 20-21, 1999, Santa Clara, California, edited by C.H. Ahn and A.B. Frazier, 3877, 248-256. Bellingham, Washington:SPIE. PNNL-SA-31482. Linehan J.C., C.R. Yonker, J.T. Bays, T. Autrey, T.E. Bitterwolf, and S. Gallagher. 1999. A Kinetic Study of the Thermal Loss of Ethylene from CpNb(CO)(3)(eta(2)-C2H4) in Supercritical Fluid Solvents. Journal of the American Chemical Society 120, no. 23:5826-5827. PNNL-SA-29520. Luey J., J.G. Darab, T. Autrey, J.D. Vienna, and H.L. Wigent. 1999. Characterization of Offgas Generated During Calcination of Incinerator Ash Surrogates Richland, WA: Pacific Northwest National Laboratory. PNNL-11982Maheswaran S., and S. Thevuthasan. 1999. Investigation of Iron Oxide Film-Substrate Interfaces Using Rutherford Backscattering and Channelling Techniques. In 11th Australian Conference on Nuclear Techniques of Analysis & 5th Vacuum Society of Australia Congress, AINSE, Lucas Heights, NSW, 24-26 November 1999 : proceedings., 225-228. Menai, :Australian Institute of Nuclear Science and Engineering. PNNL-SA-32475. Martin P.M., D.W. Matson, W.D. Bennett, D.C. Stewart, and Y. Lin. 1999. Laser-Micromachined and Laminated Microfluidic Components for Miniaturized Thermal, Chemical and Biological Systems. In Design, Test, and Microfabrication of MEMS and MOEMS. Proceedings of SPIE., 3680, 826-833. Bellingham,, :SPIE?The International Society for Optical Engineering. PNNL-SA-30686. Martin P.M., D.W. Matson, W.D. Bennett, Y. Lin, and D.J. Hammerstrom. 1999. Laminated Plastic Microfluidic Components for Biological and Chemical Systems. Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 17, no. 4:2264-2269. PNNL-SA-30444. Mattigod S.V., D. Rai, and J.E. Amonette. 1999. Concentrations and Distribution of Major and Selected Trace Elements in Size-Density Fractionated Fly Ashes. In Biogeochemistry of Trace Elements in Coal and Coal Combustion Byproducts, edited by K.S. Sajwan, A.K. Alva and R.F. Keefer, 115-131. New York, New York:Kluwer Academic/Plenum Publishers. PNWD-SA-5104. Maxwell R.S., R.K. Kukkadapu, J.E. Amonette, and H.M. Cho. 1999. 2H Solid-State NMR Investigation of Terephthalate Dynamics and Orientation in Mixed-Anion Hydrotalcite-like Compounds. Journal of Physical Chemistry B 103. PNNL-SA-30257. Mccarroll M.E., A.G. Joly, Z. Wang, D.M. Friedrich, and R. Von Wandruszka. 1999. Time-Resolved Fluorescence Anisotropies in Mixed Surfactant Solutions. Journal of Colloid and Interface Science 218, no. 1:260-264. PNNL-SA-32407. McCready D.E., S. Thevuthasan, and W. Jiang. 1999. Status of the Accelerator Facility at the Environmental Molecular Sciences Laboratory. In Applications of Accelerators in Research and Industry: Proceedings of the Fifteenth International Conference, Denton, Texas, November 1998, edited by J.L. Duggan and I.L. Morgan, 475, 537-540. Woodbury, New York:American Institute of Physics. PNNL-SA-30436. McGrail B.P., P.F. Martin, C.W. Lindenmeier, and H.T. Schaef. 1999. Application of the Pressurised Unsaturated Flow (PUF) Test for Accelerated Ageing of Waste Forms. In Ageing Studies and Lifetime Extension of Materials, Proceedings of the First International Conference on Ageing Studies and Lifetime Extension of Materials, edited by Leslie G. Mallinson, 313-320. New York, New York:Kluwer Academic/Plenum Publishers. PNNL-SA-31746. Nicholas J.B., L.S. Wang, and X.B. Wang. 1999. Photoelectron Spectroscopy and Theoretical Calculations of S04 and HS04: Confirmation of High Electron Affinities of S04 and HS04. Journal of Physical Chemistry A 104, no. 3:504-508. PNNL-SA-32007. Orlando T.M., G.A. Kimmel, and W.C. Simpson. 1999. Quantum-Resolved Electron Stimulated Interface Reactions: D2 Formation from D2O Films. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 157. PNNL-SA-31500. Peden C.H., G.S. Herman, I.Z. Ismagilov, B.D. Kay, M.A. Henderson, Y.J. Kim, and S.A. Chambers. 1999. Model Catalyst Studies with Single Crystals and Epitaxial Thin Oxide Films. Catalysis Today 51, no. 3-4:513-519. PNNL-SA-29513. Petrik N.G., D.P. Taylor, and T.M. Orlando. 1999. Laser-Stimulated Luminescence of Yttria-Stabilized Cubic Zirconia Crystals. Journal of Applied Physics 85, no. 9:6770-6776. PNNL-SA-30599. Rao B.K., P. Jena, X.B. Wang, and L.S. Wang. 1999. Origin of the unusual stability of MnO4-. Chemical Physics Letters 312, no. 5-6:598-605. PNNL-SA-32519. Rosso K.M., and M.F. Hochella. 1999. A UHV STM/STS and ab initio investigation of covellite {001} surfaces. Surface Science 423, no. 2-3:364-374. PNNL-SA-34235. Rosso K.M., G.V. Gibbs, and M.B. Boisen, Jr. 1999. SiO bonded interactions in coesite: A comparison of crystalline, molecular and experimental electron density distributions. Physics and Chemistry of Minerals 26, no. 3:264-272. PNNL-SA-34247. Rosso K.M., U. Becker, and M.F. Hochella. 1999. Atomically resolved electronic structure of pyrite {100} surfaces: An experimental and theoretical investigation with implication for reactivity. The American Mineralogist 84, no. 10:1535-1548. PNNL-SA-34238. Rosso K.M., U. Becker, and M.F. Hochella. 1999. The interaction of pyrite {100} surfaces with O2 and H2O: Fundamental oxidation mechanisms. The American Mineralogist 84, no. 10:1549-1561. PNNL-SA-34251. Ruebush S.D., R.E. Couch, S. Thevuthasan, and C.S. Fadley. 1999. X-ray Photoelectron Diffraction Study of thin Cu Films Grown on Clean Ru(0001) and O-Precovered Ru(0001). Surface Science 421, no. 3:205-236. PNNL-SA-25860. Rustad J.R., D.A. Dixon, K.M. Rosso, and A.R. Felmy. 1999. Trivalent Ion Hydrolysis Reactions: A Linear Free-Energy Relationship Based on Density Functional Electronic Structure Calculations. Journal of the American Chemical Society 121, no. 13:3234-3235. PNNL-SA-34253. Schaller T., C. Rong, and H.M. Cho. 1999. TRAPDOR NMR investigations of phosphorus-bearing aluminosilicate glasses. Journal of Non-crystalline Solids 248, no. 1:19-27. PNNL-SA-29545. Schenter G.K., H.P. Lu, and S.X. Xie. 1999. Statistical Analyses and Theoretical Models of Single-Molecule Enzymatic Dynamics. Journal of Physical Chemistry A 103. PNNL-SA-32157. Schenter G.K., S.M. Kathmann, and B.C. Garrett. 1999. Dynamical Nucleation Theory: A New Molecular Approach to Vapor-Liquid Nucleation. Physical Review Letters 82, no. 17:3484-3487. PNNL-SA-30480. Schenter G.K., S.M. Kathmann, and B.C. Garrett. 1999. Variational Transition State Theory of Vapor Phase Nucleation. Journal of Chemical Physics 110, no. 16:7951-7959. PNNL-SA-30459. Sieger M.T., G.K. Schenter, and T.M. Orlando. 1999. Stimulated Desorption by Surface Electron Standing Waves. Physical Review Letters 82, no. 16:3348-3351. PNNL-SA-30430. Sundaram S.K., S. Thevuthasan, and D.E. McCready. 1999. Quantification of Water-Content of Simulated Nuclear Waste Glasses Using Nuclear Reaction Measurements. In Scientific Basis for Nuclear Waste Management XXII; Materials Research Society Symposium Proceedings, edited by D.J. Wronkiewicz and J.H. Lee, 556, 353-358. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-30927. Tagg S.L., H.M. Cho, M.D. Dyar, and E.s. Grew. 1999. Tetrahedral Boron in Naturally-Occurring Tourmaline. The American Mineralogist 84, no. 9:1451-1455. PNNL-SA-30442. Thevuthasan S., C.H. Peden, M.H. Engelhard, D.R. Baer, G.S. Herman, W. Jiang, and Y. Liang, et al. 1999. The Ion Beam Materials Analysis Laboratory at the Environmental Molecular Sciences Laboratory. Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 420, no. 1-2:81-89. PNNL-SA-29288. Thevuthasan S., D.E. McCready, W. Jiang, E.P. Mcdaniel, S.I. Yi, and S.A. Chambers. 1999. Rutherford Backscattering and Channeling Studies of Al and Mg Diffusion in Iron Oxide Thin Films. In Applications of Accelerators in Research and Industry: Proceedings of the Fifteenth International Conference, Denton, Texas, November 1998, edited by J.L. Duggan and I.L. Morgan, 475, 508-511. Woodbury, New York:American Institute of Physics. PNNL-SA-30456. Thevuthasan S., W. Jiang, D.E. McCready, and S.A. Chambers. 1999. Rutherford Backscattering and Channeling Studies of Mg and Fe Diffusion at the Interface of gamma-Fe2O3(001)/MgO(001). Surface and Interface Analysis 27, no. 4:194-198. PNNL-SA-30182. Thevuthasan S., W. Jiang, W.J. Weber, and D.E. McCready. 1999. Damage Accumulation and Thermal Recovery in SrTiO3 Implanted with Au2? Ions. In Microstructural Processes in Irradiated Materials; Materials Research Society Symposium Proceedings, edited by S.J. Zinkle, G. Lucas, R. Ewing, J. Williams, et al., 540, 373-378. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-30456. Thevuthasan S., Y.J. Kim, S.I. Yi, S.A. Chambers, J. Morais, R. Denecke, and C.S. Fadley, et al. 1999. Surface Structure of MBE-Grown alpha-Fe2O3(0001) by Intermediate-Energy X-ray Photoelectron Diffraction. Surface Science 425, no. 2-3:276-286. PNNL-SA-30376. Thornton E.C., and J.E. Amonette. 1999. Hydrogen Sulfide Gas Treatment of Cr(VI)-Contaminated Sediment Samples from a Plating-Waste Disposal Site-Implications for In-Situ Remediation. Environmental Science & Technology 33. PNWD-SA-5074. Wang L.S., and X.B. Wang. 1999. Experimental Search for the Smallest Stable Multiply Charged Anions in the Gas Phase. Physical Review Letters 83, no. 17:3402-3405. PNNL-SA-31429. Wang L.S., C. Ding, X.B. Wang, and S.E. Barlow. 1999. Photodetachment Photoelectron Spectroscopy of Multiply Charged Anions Using Electrospray Ionization. Review of Scientific Instruments 70, no. 4:1957-1966. PNNL-SA-30584. Wang X.B., and L.S. Wang. 1999. Observation of Negative Electron-Binding Energy in a Molecule. Nature 400, no. 6741:245-248. PNNL-SA-31117. Wang X.B., and L.S. Wang. 1999. Photodetachment of Free Hexahalogenometallate Doubly Charged Anions in the Gas Phase: [ML6]2-, (M = Re, Os, Ir, PT; L= Cl and Br). Journal of Chemical Physics 111, no. 10:4497-4509. PNNL-SA-31189. Wang X.B., and L.S. Wang. 1999. Vibrationally Resolved Photoelectron Spectroscopy of PO3- and the Electronic Structure of PO3. Chemical Physics Letters 313, no. 1-2:179-183. PNNL-SA-31209. Wang X.B., C. Ding, and L.S. Wang. 1999. Electron Tunneling through the Repulsive Coulomb Barrier in Photodetachment of Multiply Charged Anions. Chemical Physics Letters 307, no. 5-6:391-396. PNNL-SA-30385. Wang X.B., C. Ding, and L.S. Wang. 1999. High Resolution Photoelectron Spectroscopy of C60(-). Inelastic Loss and Thermionic Emission. Journal of Chemical Physics 110, no. 17:8217-8220. PNNL-SA-30623. Wang X.B., C. Ding, J.B. Nicholas, D.A. Dixon, and L.S. Wang. 1999. Investigation of Free Singly and Doubly Charged Alkali Metal-Sulfate Ion Pairs: M+ (SO42-) and [M+(SO42-)2 (M = Na, K)]. Journal of Physical Chemistry A 103, no. 18:3423-3429. PNNL-SA-30719. Wang X.B., C. Ding, L.S. Wang, A.I. Boldyrev, and J. Simons. 1999. First Experimental Photoelectron Spectra of Superhalogens and Their Theoretical Interpretations. Journal of Chemical Physics 110, no. 10:4763-4771. PNNL-SA-30503. Weber W.J., W. Jiang, S. Thevuthasan, and D.E. McCready. 1999. Accumulation and Recovery of Irradiation Effects in Silicon Carbide. In Microstructural Processes in Irradiated Materials, edited by S.J. Zinkle, G.E. Lucas, R.C. Ewing, J.S. Williams, 540, 159-164. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-30635. Xiang F., Y. Lin, J.Y. Wen, D.W. Matson, and R.D. Smith. 1999. An Integrated Microfabricated Device for Dual Microdialysis and On-line ESI Ion Trap Mass Spectrometry for the Analysis of Complex Biological Samples. Analytical Chemistry 71, no. 8:1485-1490. PNNL-SA-30690. Yi S.I., Y. Liang, S. Thevuthasan, and S.A. Chambers. 1999. Morphological and Structural Investigation of the Early Stages of Epitaxial Growth of Alpha-Fe2O3 (0001) on Alpha-Al2O3 (0001) by Oxygen-Plasma-Assisted MBE. Surface Science 443, no. 3:212-220. PNNL-SA-31364. Yonker C.R., J.C. Linehan, and J.L. Fulton. 1999. The Use of High-Pressure NMR for the Determination of Phase-Behavior for Select Binary Solvent Systems. Journal of Supercritical Fluids 14, no. 1:9-16. PNNL-SA-29759. Yonker C.R., J.C. Linehan, and J.L. Fulton. 1999. UV, EPR, X-ray and Related Spectroscopie Techniques. In Chemical Synthesis Using Supercritical fluids, edited by Philip G. Jessop and Walter Leitner. 195-212. Weinheim:Wiley-VCH. PNNL-SA-30228.

1998

Ainsworth C.C., D. Friedrich, P.L. Gassman, Z. Wang, and A.G. Joly. 1998. Characterization of salicylate-alumina surface complexes by polarized fluorescence spectroscopy. Geochimica et Cosmochimica Acta 62, no. 4:595-612. PNNL-SA-29751. doi:10.1016/S0016-7037(97)00375-XAutrey T., N.S. Foster, K. Klepzig, J.E. Amonette, and J.L. Daschbach. 1998. A New Angle into Time-Resolved Photoacoustic Spectroscopy: A Layered Prism Cell Increases Experimental Flexibility. Review of Scientific Instruments 69, no. 6:2246-2258. PNNL-SA-32703. doi:10.1063/1.1148928Chambers S.A., M.A. Henderson, Y.J. Kim, and S. Thevuthasan. 1998. Chemisorption Geometry, Vibrational Spectra, and Thermal Desorption of Formic Acid on TiO2 (110). Surface Review and Letters 5, no. 1:381-385. PNNL-SA-27794. doi:10.1142/S0218625X98000700Chambers S.A., Y.J. Kim, and Y. Gao. 1998. Fe 2p Core-level Spectra for Pure, Epitaxial alpha-Fe2O3(0001), gamma-Fe2O3(001), and Fe2O3(001). Surface Science Spectra 5, no. 3:219-228. PNNL-SA-30375. doi:10.1116/1.1247873Ding C., X.B. Wang, and L.S. Wang. 1998. Photoelectron Spectroscopy of Double Charged Anions: Intramolecular Coulomb Repulsion and Solvent Stabilization. Journal of Physical Chemistry A 102, no. 45:8633-8636. PNNL-SA-30149. Ding C., X.B. Wang, J.B. Nicholas, and L.S. Wang. 1998. Probing the Potential Barriers and Intramolecular Electrostatic Interactions in Freely Doubly Charged Anions. Physical Review Letters 81, no. 13:2667-2670. PNNL-SA-30044. Domansky K., D.L. Baldwin, J.W. Grate, T.B. Hall, J. Li, M.A. Josowicz, and J. Janata. 1998. Development and Calibration of Field-Effect Transistor-Based Sensor Array for Measurement of Hydrogen and Ammonia Gas Mixtures in Humid Air. Analytical Chemistry 70, no. 3:473-481. PNNL-SA-29420. doi:10.1021/ac970427xEgorov O.B., J.W. Grate, and J. Ruzicka. 1998. Automation of Radiochemical Analysis by Flow Injection Techniques: Am-Pu Separation Using TRU-resin(tm) Sorbent Extraction Column. Journal of Radioanalytical and Nuclear Chemistry 234, no. 1-2:231-235. PNNL-SA-29535. doi:10.1007/BF02389777Gao Y., Y.J. Kim, and S.A. Chambers. 1998. Preparation and Characterization of Epitaxial Iron Oxide Films. Journal of Materials Research 13, no. 7:2003-2014. PNNL-SA-28492. doi:10.1557/JMR.1998.0281Grate J.W., and O.B. Egorov. 1998. Automating Analytical Separations in Radiochemistry. Analytical Chemistry 70, no. *3:**9A-*88A. PNNL-SA-30343. Grate J.W., and O.B. Egorov. 1998. Investigation and Optimization of On-Column Redox Reactions in the Sorbent Extraction Separation of Americium and Plutonium Using Flow Injection Analysis. Analytical Chemistry 70, no. 18:3920-3929. PNNL-SA-29944. doi:10.1021/ac980411mGrate J.W., S.N. Kaganove, and V.R. Bhethanabotla. 1998. Comparisons of Polymer/Gas Partition Coefficients Calculated from Responses of Thickness Shear Mode and Surface Acoustic Wave Vapor Sensors. Analytical Chemistry 70, no. 1:199-203. PNNL-SA-28947. doi:10.1021/ac970608zJiang W., W.J. Weber, S. Thevuthasan, and D.E. Mccready. 1998. Accumulation and Recovery of Irradiation Damage in He+ Implanted Alpha-SiC. Journal of Nuclear Materials 257, no. 3:295-302. PNL-SA-29798. Jiang W., W.J. Weber, S. Thevuthasan, and D.E. McCready. 1998. Damage Accumulation and Annealing in 6H-SiC Irradiated with Si+. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 143, no. 3:333-341. PNNL-SA-29780. Komarneni S., R. Pidugu, and J.E. Amonette. 1998. Synthesis of Na-4-mica from Metakaolinite and MgO: Characterization and Sr2+ uptake Kinetics. Journal of Materials Chemistry 8, no. 1:205-208. PNNL-SA-32704. doi:10.1039/A706050ELin Y., N. Xu, J.Y. Wen, D.W. Matson, and R.D. Smith. 1998. Micro fabricated Dual-Microdialysis and Capillary, Isoelectric Focusing Devices for Cleanup and Separations/Mass Spectrometric Analysis of Biomolecules. In Micro Total Analysis Systems '98; proceedings of the (mu)TAS '98 Workshop, held in Banff, Canada, 13-16 October 1998, edited by D.J. Harrison and A.V. den Berg, 343-346. Boston, Massachusetts:Kluwer Academic Publishers. PNNL-SA-32258. Liu P., T. Kendelewicz, G.E. Brown, E.J. Nelson, and S.A. Chambers. 1998. Reaction of Water Vapor with alpha-Al203 and alpha-Fe203(0001) Surfaces: Synchrotron X-ray Photoemission Studies and Thermodynamic Calculations. Surface Science 417, no. 1998:53-65. PNNL-SA-30290. Matson D.W., P.M. Martin, W.D. Bennett, D.E. Kurath, Y. Lin, and D.J. Hammerstrom. 1998. Fabrication Processes for Polymer-Based Microfluidic Analytical Devices. In Micro total analysis systems '98: proceedings of the [Mu] TAS '98 Workshop, held in Banff, Canada, 13-16 October 1998, edited by DJ Harrison & A Van den Berg, 371-374. Dordrecht:Kluwer Academic. PNNL-SA-30104. Saleh A.A., A.A. Saleh, V. Shutthanandan, N.R. Shivaparan, R.J. Smith, T.T. Tran, and S.A. Chambers. 1998. Epitaxial Growth of fcc Ti Films on Al(001) Surfaces. Physical Review. B, Condensed Matter 56, no. 15:9841-9847. PNNL-SA-30692. Sams R.L., T.A. Blake, S.W. Sharpe, J. Flaud, and W.J. Lafferty. 1998. High Resolution Infrared Study of the nu(14), nu(17) and nu(18) bands of (B2H6)-B-11 and (BBH6)-B-10-B-11. Journal of Molecular Spectroscopy 191, no. 2:331-342. PNNL-SA-29763. Schenter G.K. 1998. A Quantum Statistical Mechanical Study of the Enthalpy of Formation of the Water Dimer. Journal of Chemical Physics 108, no. 15:6222-6232. PNNL-SA-29295. doi:10.1063/1.476029Schenter G.K., B.C. Garrett, H. Gai, and L.X. Dang. 1998. Comparison of Classical and Quantum Statistical Mechanical Simulations of Aqueous Ionic Clusters. In Advances in Classical Trajectory Methods, Volume 3: Comparisons of classical and quantum dynamics, edited by William L. Hase. 1-33. Stamford, Connecticut:JAI Press, Inc. PNNL-SA-29541. Stec D.F., R.S. Maxwell, and H.M. Cho. 1998. Protonated Sites of Sulfate-Promoted Zirconium Oxide Catalysis: A Fourier Transform-IR, Thermal Analysis, and Solid State 1H NMR Study. Journal of Catalysis 176, no. 1:14-24. PNNL-SA-28558. doi:10.1006/jcat.1998.2000Szecsody J.E., K.M. Krupka, M.D. Williams, K.J. Cantrell, C.T. Resch, and J.S. Fruchter. 1998. Uranium Mobility During In Situ Redox Manipulation of the 100 Areas of the Hanford Site Richland, WA: Pacific Northwest National Laboratory. PNNL-12048Thevuthasan S., G.S. Herman, Y.J. Kim, S.A. Chambers, C.H. Peden, Z. Wang, and R.X. Ynzunza, et al. 1998. The Structure of Formate on TiO2(110) by Scanned-Energy and Scanned Angle Photoelectron Diffraction. Surface Science 401, no. 2:261-268. PNNL-SA-29261. doi:10.1016/S0039-6028(97)01092-3Wang X.B., C. Ding, and L.S. Wang. 1998. Photodetachment Spectroscopy of A Doubly Charged Anion: Direct Observation of the Repulsive Coulomb Barrier. Physical Review Letters 81, no. 16:3351-3354. PNNL-SA-29875. Wu H., X. Li, X.B. Wang, C. Ding, and L. Wang. 1998. Al3Oy(y=0-5) Clusters: Sequential Oxidation, Metal-to-Oxide Transformation, and Photoisomerization. Journal of Chemical Physics 109, no. 2:449-458. PNNL-SA-29725. Xu N., Y. Lin, S.A. Hofstadler, D.W. Matson, C.J. Call, and R.D. Smith. 1998. A Microfabricated Dialysis Device for Sample Cleanup in Electrospray Ionization Mass Spectrometry. Analytical Chemistry 70, no. 17:3553-3556. PNNL-SA-29770. doi:10.1021/ac980233x

1997

Chambers S.A., S. Thevuthasan, Y.J. Kim, G.S. Herman, Z. Wang, E.D. Tober, and R.X. Ynzunza, et al. 1997. Chemisorption Geometry of Formate on Ti2(110) by Photoelectron Diffraction. Chemical Physics Letters 267, no. 1-2:51-57. PNNL-SA-28222. doi:10.1016/S0009-2614(97)00070-5Gao Y., and S.A. Chambers. 1997. Heteroepitaxial Growth of Alpha-Fe2O3, Gamma-Fe2O3 and Fe3O4 Thin Films by oxygen-Plasma-Assisted Molecular Beam Epitaxy. Journal of Crystal Growth 174, no. 1-4:446-454. PNNL-SA-27388. doi:10.1016/S0022-0248(96)01141-4Gao Y., Y.J. Kim, S. Thevuthasan, S.A. Chambers, and P. Lubitz. 1997. Growth, Structure, and Magnetic Properties of gamma- Fe2O3 Epitaxial Films on MgO. Journal of Applied Physics 81, no. 7:3253-3256. PNNL-SA-28077. doi:10.1063/1.364355Grate J.W., S.N. Kaganove, S.J. Patrash, R.A. Craig, and M. Bliss. 1997. Hybrid Organic/Inorganic Copolymers with Strongly Hydrogen-Bond Acidic Properties for Acoustic Wave and Optical Sensors. Chemistry of Materials 9, no. 5:1201-1207. PNNL-SA-28327. doi:10.1021/cm960590tHu J., J. Zhou, B. Yang, L. Li, J. Qiu, C. Ye, and M.S. Solum, et al. 1997. "Dynamic Nuclear Polarization of Nitrogen-15 In Benzamide". Solid State Nuclear Magnetic Resonance 8, no. 2:129-137. PNNL-SA-35523. doi:10.1016/S0926-2040(96)01263-5Kim Y.J., Y. Gao, and S.A. Chambers. 1997. Core-Level X-ray Photoelectron Spectra and X-ray Photoelectron Diffraction of RuO2(110) Grown by Molecular Beam Epitaxy on TiO2(110). Applied Surface Science 120, no. 3-4:250-260. PNNL-SA-28296. doi:10.1016/S0169-4332(97)00233-XKimmel G.A., T.M. Orlando, P. Cloutier, and L. Sanche. 1997. Low-Energy (5-40 eV) Electron-Stimulated Desorption of Atomic Hydrogen and Metastable Emission from Amorphous Ice. Journal of Physical Chemistry B 101, no. 32:6301-6303. PNNL-SA-28046. doi:10.1021/jp9632091Mccarthy M.I., G.K. Schenter, M.R. Chacon Taylor, J.J. Rehr, and G.E. Brown. 1997. Prediction of extended x-ray-absorption fine-structure spectra from molecular interaction models: Na+(H2O)(n)-MgO (100) interface. Physical Review. B, Condensed Matter 56, no. 15:9925. PNNL-SA-28484. Mcrae R., G.K. Schenter, and B.C. Garrett. 1997. Dynamic Solvent Effects on Activated Chemical Reactions. II. Quantum Mechanical Effects. Journal of the Chemical Society. Faraday Transactions 93, no. 5:997-1009. PNNL-SA-27980. doi:10.1039/A605914GOrlando T.M., and G.A. Kimmel. 1997. The Role of Excitons and Substrate Temperature in Low-Energy (5-50 eV) Electron-Stimulated Dissociation of Amorphous D2O Ice. Surface Science 390, no. 1-3:79-85. PNNL-SA-28659. doi:10.1016/S0039-6028(97)00511-6Peden C.H., G.S. Herman, I.Z. Ismagilov, M.A. Henderson, Y.J. Kim, and S.A. Chambers. 1997. The Growth, Structure and Surface Chemistry of Oxide Films as Model Catalysts. Superficies y Vacio 7. PNNL-SA-29042. Thevuthasan S., Y.J. Kim, G.S. Herman, S.A. Chambers, C.H. Peden, Z. Wang, and R.X. Ynzunza, et al. 1997. The Structure of Formate on TiO2(110) by Scanned Energy and Scanned-Angle Photoelectron Diffraction. In Advanced Light Source: Compendium of User Abstracts and Technical Reports 1993-1996, edited by D.J. Dixon, et. al., LBNL- 39981, 392-394. Berkeley, California:Lawrence Berkeley National Laboratory. PNNL-SA-28551. Tonkyn R.G., S.E. Barlow, M.L. Balmer, T.M. Orlando, J. Hoard, and D.A. Goulette. 1997. Vehicle Exhaust Treatment Using Electrical Discharge Methods. In International Spring Fuels and Lubricants Meeting, May 5-8, 1997, Dearborn, MI. SAE Technical Papers, Paper No. 971716. Warrendale, Pennsylvania:SAE International. PNNL-SA-28589. doi:10.4271/971716Venturo V.A., A.G. Joly, and D. Ray. 1997. Pulse Compression with a High-Energy Nd:YAG Regenerative Amplifier System. Applied Optics 36, no. 21:5048-5052. PNNL-SA-28157. doi:10.1364/AO.36.005048Wang X.B., and L.S. Wang. 1997. Electronic Structure and Photoelectron Spectroscopy of A1Si Mixed Dimer. Journal of Chemical Physics 107, no. 19:7667-7672. PNWD-SA-4464.

1996

Chambers S.A., Y. Gao, S. Thevuthasan, Y. Liang, N.R. Shivaparan, and R.J. Smith. 1996. Molecular Beam Epitaxial Growth and Characterization of Mixed (Ti,Nb)O2 Rutile Films on TiO2(100). Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 14, no. 3:1387-1394. PNNL-SA-26770. doi:10.1116/1.579959Chambers S.A., Y. Gao, Y.J. Kim, M.A. Henderson, S. Thevuthasan, S. Wen, and K.L. Merkle. 1996. Geometric and Electronic Structure of Epitaxial NbxTi1-xO2 on TiO2(110). Surface Science 365, no. 3:625-637. PNNL-SA-27186. doi:10.1016/0039-6028(96)00760-1Gai H., G.K. Schenter, and B.C. Garrett. 1996. Classical and Quantum Mechanical Studies of Ice Ih Near Melting Temperature. Journal of Chemical Physics 104, no. 2:680-685. PNNL-SA-26684. doi:10.1063/1.470864Gai H., G.K. Schenter, and B.C. Garrett. 1996. Quantum Simulation of High-Density Amorphous Ice. Physical Review Letters 54, no. 21:14873. PNNL-SA-27871. doi:10.1103/PhysRevB.54.14873Gao Y., and S.A. Chambers. 1996. Effect of Substrate Orientation on the Crystal Quality and Surface Roughness of Nb-Doped TiO2 Epitaxial Films on TiO2. Journal of Materials Research 11, no. 4:1025-1029. PNNL-SA-26683. doi:10.1557/JMR.1996.0128Gao Y., Y. Liang, and S.A. Chambers. 1996. Thermal Stability and the Role of Oxygen Vacancy Defects in Strong Metal Support interaction -- Pt on Nb-doped TiO2(100). Surface Science 365, no. 3:638-648. PNNL-SA-27304. doi:10.1016/0039-6028(96)00763-7Grate J.W., R.S. Strebin, J. Janata, O.B. Egorov, and J. Ruzicka. 1996. Automated Analysis of Radionuclides in Nuclear Waste: Rapid Determination of 90Sr by Sequential Injection Analysis. Analytical Chemistry 68, no. 2:333-340. PNNL-SA-26334. doi:10.1021/ac950561mHsiao M.C., B.t. Merritt, B.M. Penetrante, G.E. Vogtlin, P.H. Wallman, R.G. Tonkyn, and R. Shah, et al. 1996. Plasma Assisted Oxidation of Propene. Journal of Advanced Oxidation Technologies 1, no. 1:79-84. PNL-SA-26282. doi:10.1515/jaots-1996-0112Kim Y.J., S. Thevuthasan, G.S. Herman, C.H. Peden, S.A. Chambers, D.N. Belton, and H. Permana. 1996. Chemisorption Geometry of NO on Rh(111) by X-Ray Photoelectron Diffraction. Surface Science 359, no. 1-3:269-279. PNNL-SA-26904. doi:10.1016/0039-6028(96)00027-1Kimmel G.A., and T.M. Orlando. 1996. Observation of Negative Ion Resonances in Amorphous Ice via Low-Energy (5-40 eV) Electron-Stimulated Production of Molecular Hydrogen. Physical Review Letters 77, no. 19:3983-3986. PNNL-SA-27600. doi:10.1103/PhysRevLett.77.3983Peurrung A.J., R.T. Kouzes, and S.E. Barlow. 1996. The Non-Neutral Plasma: An Introduction to Physics with Relevance to Cyclotron Resonance Mass Spectrometry. International Journal of Mass Spectrometry and Ion Processes 157-158. PNNL-SA-26564. doi:10.1016/S0168-1176(96)04395-9Sharpe S.W., S. Xu, R.S. McDowell, and T.A. Blake. 1996. Tunable diode lasers and their application in cold molecular beam spectroscopy. In Application of Tunable Diode and Other Infrared Sources for Atmospheric Studies and Industrial Process Monitoring: Proceedings of the SPIE, August 4-9, 1996, Denver, CO, edited by A. Fried, 2834, 91-101. Bellingham, Washington:SPIE. PNNL-SA-27828. doi:10.1117/12.255314Tonkyn R.G., S.E. Barlow, and T.M. Orlando. 1996. Destruction of Carbon Tetrachloride in a Dielectric Barrier/Packed-Bed Corona Reactor. Journal of Applied Physics 80, no. 9:4877-4886. PNNL-SA-27623. doi:10.1063/1.363530Xu S., T.A. Blake, and S.W. Sharpe. 1996. High-Resolution Infrared Spectroscopy of the nu4 Fundamental Band of Chlorine Nitrate. Journal of Molecular Spectroscopy 175, no. 2:303-314. PNL-SA-26537. doi:10.1006/jmsp.1996.0036

1995

Bahnmaier A.H., A.G. Joly, J.M. Price, and D. Ray. 1995. Ionization-Detected Rotational Coherence Spectroscopy of Mass Selected Clusters. In Laser Techniques for State-Selected and State-to-State Chemistry II, July 9-14, 1995, San Diego CA. Proceedings of the SPIE, edited by JW Hepburn, 2548, 182-187. Bellingham, Washington:SPIE. PNL-SA-26575. doi:10.1117/12.220846Chambers S.A., T.T. Tran, and T.A. Hileman. 1995. Auger Electron Spectroscopy as a Real-Time Compositional Probe In Molecular Beam Epitaxy. Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 13, no. 1:83-91. PNNL-SA-24604. doi:10.1116/1.579448Chambers S.A., Y. Gao, and Y. Liang. 1995. The Early Stages of MgO Epitaxy on Lattice-Matched Cr0.7Mo0.3(001). Surface Science 339, no. 3:297-309. PNNL-SA-26276. doi:10.1016/0039-6028(95)00610-9Gai H., L.X. Dang, G.K. Schenter, and B.C. Garrett. 1995. Quantum Simulation of Aqueous Ionic Clusters. Journal of Physical Chemistry 99, no. 36:13303-13306. PNNL-SA-26283-S. doi:10.1021/j100036a001Grate J.W., and R.A. McGill. 1995. Dewetting Effects on Polymer-coated Surface Acoustic Wave Vapor Sensors. Analytical Chemistry 67, no. 21:4015-4019. PNNL-SA-4257. doi:10.1021/ac00117a031Grate J.W., M.H. Abraham, M.H. Abraham, C.M. Du, R.A. McGill, and W.J. Shuely. 1995. Examination of Vapor Sorption by Fullerene, Fullerene-Coated Surface Acoustic Wave Sensors, Graphite and Low-Polarity Polymers Using Linear Solvation Energy Relationships. Langmuir 11, no. 6:2125-2130. PNNL-SA-24956. doi:10.1021/la00006a046Grate J.W., S.J. Patrash, and M.H. Abraham. 1995. Method for Estimating Polymer-Coated Acoustic Wave Vapor Sensor Reponses. Analytical Chemistry 67, no. 13:2162-2169. PNNL-SA-25625. doi:10.1021/ac00109a040Heald S.M., J.E. Amonette, G.D. Turner, and A.D. Scott. 1995. An XAFS Study of the Oxidation of Structural Iron in Biotite Mica by Solutions Containing Br-2 or H2O2. Physica B Condensed Matter 209, no. 1-4:604-606. PNNL-SA-34110. doi:10.1016/0921-4526(94)00878-YKaduwela A.P., A.P. Kaduwela, H. Xiao, H. Xiao, S. Thevuthasan, C.s. Fadley, and C.s. Fadley, et al. 1995. Circular Dichroism in the Angular Distribution of Core Photoelectrons from Si(001): A Photoelectron Diffraction Analysis. Physical Review. B, Condensed Matter and Materials Physics 52, no. 20:14927-14934. PNNL-SA-25830. doi:10.1103/PhysRevB.52.14927Kimmel G.A., and T.M. Orlando. 1995. Low-Energy (5-120 eV) Electron-Stimulated Dissociation of Amorphous D2O Ice: D(2S), O(3P2,1,0), and O(1D2) Yields and Velocity Distributions. Physical Review Letters 75, no. 13:2606-2609. PNL-SA-26352. doi:10.1103/PhysRevLett.75.2606Lerner B.D., J.G. Birmingham, R.G. Tonkyn, and S.E. Barlow. 1995. Decomposition of Trichloroethylene by a Large Scale, High Flow Packed-Bed Gas Phase Corona Reactor. In Proceedings of the 12th International Symposium on Plasma Chemistry, August 21-25, 1995, Minneapolis, MN, edited by JV Heberlein, et al, 2, 697-703. Hoboken, New Jersey:Blackwell Science. PNNL-SA-26636. Peurrung A.J., S.E. Barlow, and R.T. Kouzes. 1995. Coupled Gyrators: A Paradigm for Space-Charge Effects in Cyclotron Mass Spectroscopy. In Non-Neutral Plasma Physics II: The Berkeley Workshop on Non-Neutral Plasmas in Traps, July 1994, Berkeley, CA. AIP Conference Proceedings, 331, 129-138. College Park, Maryland:American Institute of Physics. PNNL-SA-24305. doi:10.1063/1.47885Ruebush S.D., S.D. Ruebush, R.X. Ynzunza, R.X. Ynzunza, S. Thevuthasan, A.P. Kaduwela, and A.P. Kaduwela, et al. 1995. Variation of Mean Emitter Depth with Direction in Core Photoelectron Emission from Single Crystals. Surface Science 328, no. 3:302-310. PNNL-SA-24525. doi:10.1016/0039-6028(95)00048-8Taylor R.H., and J.W. Grate. 1995. A Flow Injection Analysis Technique for the Determination of Chloride Using Reflectance Detection. Talanta 42, no. 2:257-261. PNNL-SA-24112. Thevuthasan S., D.R. Baer, M.H. Engelhard, Y. Liang, J.N. Worthington, J.N. Worthington, and T.R. Howard, et al. 1995. Development of a Multitask and Multiinstrument Sample Transfer System. Journal of Vacuum Science and Technology B--Microelectronics and Nanometer Structures 13, no. 4:1900-1905. PNNL-SA-25592. doi:10.1116/1.587832Zhang F., S. Thevuthasan, R. Scalettar, R. Singh, and C.S. Fadley. 1995. A Monte Carlo Study of Magnetic Order at Ferromagnetic and Antiferromagnetic Surfaces: Implications for Spin-Polarized Photoelectron Diffraction. Physical Review. B, Condensed Matter 51, no. 18:12468-12479. PNNL-SA-25522. doi:10.1103/PhysRevB.51.12468

1994

Chambers S.A., T.T. Tran, and T.A. Hileman. 1994. Molecular Beam Homoepitaxial Growth of MgO(001). Journal of Materials Research 9, no. 11:2944 -2952. PNNL-SA-24353. doi:10.1557/JMR.1994.2944Chambers S.A., T.T. Tran, T.A. Hileman, and T.A. Jurgens. 1994. Epitaxial Growth of MgO(001) on Lattice-Matched CrxMo1-x(001). Surface Science 320, no. 3:L81-L88. PNNL-SA-24861. doi:10.1016/0039-6028(94)90302-6Garrett B.C., and G.K. Schenter. 1994. Variational Transition State Theory for Activated Chemical Reactions in Solution. International Reviews in Physical Chemistry 13, no. 2:263-289. PNNL-SA-23791. doi:10.1080/01442359409353296Jackson B.E., M. Perrson, and B.D. Kay. 1994. Quantum Mechanical Study of H(g)+CI-Au(111): Eley-Rideal Mechanism. Journal of Chemical Physics 100, no. 10:7687-7695. PNL-SA-25843. doi:10.1063/1.466862Kimmel G.A., T.M. Orlando, C. Vezina, and L. Sanche. 1994. Low-Energy Electron-Stimulated Production of Molecular Hydrogen from Amorphous Water Ice. Journal of Chemical Physics 101, no. 4:3282-3286. PNL-SA-23672. doi:10.1063/1.468430McGill R.A., R.A. McGill, M.H. Abraham, M.H. Abraham, and J.W. Grate. 1994. Choosing Polymer Coatings for Chemical Sensors. Chemtech 24, no. 9:27-37. PNNL-SA-24862. Messina M., B.C. Garrett, and G.K. Schenter. 1994. Variational Solutions for the Thermal and Real Time Propagator Using the McLachlan Variational Principle. Journal of Chemical Physics 100, no. 9:6570-6577. PNNL-SA-23541. doi:10.1063/1.467066Truhlar D.G., Y.P. Liu, G.K. Schenter, and B.C. Garrett. 1994. Tunneling in the Presence of a Bath: A Generalized Transition State Theory Approach. Journal of Physical Chemistry 98, no. 34:8396-8405. PNNL-SA-24547. doi:10.1021/j100085a021Zachara J.M., C.T. Resch, and S.C. Smith. 1994. Influence of Humic Substances CO2+ Sorption by a Subsurface Mineral Separate and its Mineralogic Components. Geochimica et Cosmochimica Acta 58, no. 2:553-566. PNL-SA-21122. doi:10.1016/0016-7037(94)90488-X

1993

Chambers S.A., and T.T. Tran. 1993. Geometric Structure at the Si/GaAs(001) Interface: The Relationship to A1As/Si/GaAs Band Offsets. Physical Review. B, Condensed Matter and Materials Physics 47, no. 19:13023-13026. PNNL-SA-21989. doi:10.1103/PhysRevB.47.13023Grate J.W., S.J. Martin, and R.M. White. 1993. Acoustic Wave Microsensors. Analytical Chemistry 65, no. 21:940A-948A. PNNL-SA-22252. doi:10.1021/ac00069a002Messina M., G.K. Schenter, and B.C. Garrett. 1993. Approximate Path Integral Methods for Partition Functions. Journal of Chemical Physics 98, no. 5:4120-4127. PNNL-SA-21512. doi:10.1063/1.465021Messina M., G.K. Schenter, and B.C. Garrett. 1993. Quantum Activated Rate Theory: Variational Optimization of Planar Dividing Surfaces. Journal of Chemical Physics 99, no. 11:8644-8653. PNNL-SA-21897. doi:10.1063/1.465588Schenter G.K., M. Messina, and B.C. Garrett. 1993. Centroid-Density Quantum Rate Theory: Dynamical Treatment of Classical Recrossing. Journal of Chemical Physics 99, no. 3:1674-1684. PNNL-SA-22172. doi:10.1063/1.465284Tran T.T., and S.A. Chambers. 1993. Interface Structure of the 1 Monolayer (2x1)-Si/GaAs(001) System by X-Ray Photoelectron Diffraction. Journal of Vacuum Science and Technology B--Microelectronics and Nanometer Structures 11, no. 4:1459-1462. PNNL-SA-21384 A. doi:10.1116/1.586912Truhlar D.G., G.K. Schenter, and B.C. Garrett. 1993. Inclusion of Nonequilibrium Continuum Solvation Effects in Variational Transition State Theory. Journal of Chemical Physics 98, no. 7:5756-5770. PNNL-SA-21687. doi:10.1063/1.464868Zachara J.M., S.C. Smith, J.P. McKinley, and C.T. Resch. 1993. Cadmium Sorption on Specimen and Soil Smectites in Sodium and Calcium Electrolytes. Soil Science Society of America Journal 57, no. 6:1491-1501. BN-SA-3392. doi:10.2136/sssaj1993.03615995005700060017x

1992

Cowan C.E., J.M. Zachara, S.C. Smith, and C.T. Resch. 1992. Individual Sorbent Contributions to Cadmium Sorption on Ultisols of Mixed Mineralogy. Soil Science Society of America Journal 56, no. 4:1084-1094. BN-SA-3351. doi:10.2136/sssaj1992.03615995005600040013xZachara J.M., S.C. Smith, C.T. Resch, and C.E. Cowan. 1992. Cadmium Sorption to Soil Separates Containing Layer Silicates and Iron and Aluminum Oxides. Soil Science Society of America Journal 56, no. 4:1074-1084. BN-SA-3325. doi:10.2136/sssaj1992.03615995005600040012x

1991

Amonette J.E., and A.D. Scott. 1991. Determination of Ferrous Iron in Nonrefractory Silicate Minerals:1. An improved semi-micro oxidimetric method. Chemical Geology 92, no. 4:329-338. BN-SA-3154. doi:10.1016/0009-2541(91)90077-5

1990

Amonette J.E., and D. Rai. 1990. Identification of Noncrystalline (Fe,Cr)(OH)3 by Infrared-Spectroscopy. Clays and Clay Minerals 38, no. 2:129-136. BN-SA-2843. doi:10.1346/CCMN.1990.0380203

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