Staff information

PNNL Publications

2023

• Grubel K., W.S. Rosenthal, S. Autrey, N.J. Henson, K. Koh, S.E. Flowers, and T.A. Blake. 2023. "SN2 Solution Phase Kinetics for Iodoalkane-DABCO Reactions: An Experimental, Computational and Uncertainty Analysis Study." Physical Chemistry Chemical Physics 25, no. 9:6914-6926. PNNL-SA-179160. doi:10.1039/d2cp05286e
• Masiello A., J.W. Vant, C.S. Brauer, and T.A. Blake. 2023. "Analysis of the rotationally-resolved infrared spectrum of CD379Br and CD381Br between 900 and 1400cm-1." Journal of Molecular Spectroscopy 393. PNNL-SA-180056. doi:10.1016/j.jms.2023.111760
• Stephens S.L., E. Antonelli, A.B. Seys, H. Nguyen, S.E. Novick, S.A. Cooke, and T.A. Blake. 2023. "The Microwave Spectra of the Conformers of n-Butyl Nitrate." Journal of Molecular Spectroscopy 397. PNNL-SA-185422. doi:10.1016/j.jms.2023.111824

2021

• Autrey S., K. Grubel, W.S. Rosenthal, R.A. VanGundy, N.J. Henson, S.E. Flowers, and K. Koh, et al. 2021. Experimental Studies of the Dynamics of Adsorbed and Condensed Phase Iodine Species Formed in Severe Reactor Accidents: Final Project Report. PNNL-32032. Richland, WA: Pacific Northwest National Laboratory. Experimental Studies of the Dynamics of Adsorbed and Condensed Phase Iodine Species Formed in Severe Reactor Accidents: Final Project Report
• Johnson T.J., K.D. Hughey, T.A. Blake, S.W. Sharpe, T.L. Myers, and R.L. Sams. 2021. "Confirmation of PNNL Quantitative Infrared Cross-Sections for Isobutane." Journal of Physical Chemistry A 125, no. 17:3793-3801. PNNL-SA-160407. doi:10.1021/acs.jpca.1c01933
• Masiello A., S. Ray, J.W. Vant, C.S. Brauer, and T.A. Blake. 2021. "The high-resolution infrared analysis of the v3 and v6 bands of CD3Br." Journal of Molecular Spectroscopy 376. PNNL-SA-156403. doi:10.1016/j.jms.2020.111405
• Yokosuk M.O., T. Tiwald, D.L. Saunders, T.A. Blake, and T.L. Myers. 2021. "Combining Spectroscopic Techniques to Determine the Optical Constants of Powdered Lactose." Applied Optics 60, no. 8:2412-2421. PNNL-SA-157562. doi:10.1364/AO.414107
• Yokosuk M.O., T. Tiwald, D.L. Saunders, T.A. Blake, T.J. Johnson, and T.L. Myers. 2021. "Combining Spectroscopic Ellipsometry with Transmission Spectroscopy to Derive Accurate Optical Constants for Organic Materials." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XXII, April 12-16, 2021, Virtual, Online. Proceedings of the SPIE, 11749, Paper No. 117490S. Bellingham, Washington:SPIE. PNNL-SA-160811. doi:10.1117/12.2588323

2020

• Diaz E., K.D. Hughey, A. Dohnalkova, T.L. Myers, T.A. Blake, S.D. Burton, and T.J. Johnson. 2020. "Impact of pellet preparation on reflectance measurements of ammonium sulfate by single-angle reflectance spectroscopy." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XXI; SPIE Defense + Commercial Sensing. Proceedings of the SPIE, edited by J.A. Guicheteau and C.R. Howle, 11416, Paper No. 1141604. Bellingham, Washington:SPIE. PNNL-SA-152567. doi:10.1117/12.2559989
• Hughey K.D., A.M. Bradley, R.G. Tonkyn, H.M. Felmy, T.A. Blake, S.A. Bryan, and T.J. Johnson, et al. 2020. "Absolute Band Intensity of the Iodine Monochloride Fundamental Mode for Infrared Sensing and Quantitative Analysis." Journal of Physical Chemistry A 124, no. 46:9578-9588. PNNL-SA-154340. doi:10.1021/acs.jpca.0c07353
• Johnson T.J., E. Diaz, K.D. Hughey, T.L. Myers, T.A. Blake, A. Dohnalkova, and S.D. Burton. 2020. "Infrared Optical Constants from Pressed Pellets of Powders: I. Improved n and k Values of (NH4)(2)SO(4)from Single-Angle Reflectance." Applied Spectroscopy 74, no. 8:851-867. PNNL-SA-150911. doi:10.1177/0003702820930009
• Myers T.L., T.A. Blake, M.O. Yokosuk, G. Fortin, and T.J. Johnson. 2020. "Improved Infrared Optical Constants from Pressed Pellets: II. Ellipsometric n and k Values for Ammonium Sulfate with Variability Analysis." Applied Spectroscopy 74, no. 8:868-882. PNNL-SA-150960. doi:10.1177/0003702820928358
• Nibler J.W., B.A. Erickson, C.S. Brauer, T. Masiello, and T.A. Blake. 2020. "Analysis of several high-resolution infrared bands of perdeutero-spiropentane, C5D8." Journal of Molecular Spectroscopy 372. PNNL-SA-155610. doi:10.1016/j.jms.2020.111350
• Orellana W.D., S.L. Stephens, S.E. Novick, S.A. Cooke, C.S. Brauer, and T.A. Blake. 2020. "A Study of the Conformational Isomerism of n-Propyl Nitrate by Microwave Spectroscopy." Journal of Molecular Spectroscopy 374. PNNL-SA-153497. doi:10.1016/j.jms.2020.111376
• Sams R.L., and T.A. Blake. 2020. "Ro-vibrational Spectroscopy of 2,5-Norbornadiene between 400 and 850 cm-1." Journal of Molecular Spectroscopy 373. PNNL-SA-153806. doi:10.1016/j.jms.2020.111354

2018

• Blake T.A., T.J. Johnson, R.G. Tonkyn, B.M. Forland, T.L. Myers, C.S. Brauer, and Y. Su, et al. 2018. "Methods for Quantitative Infrared Directional-Hemispherical and Diffuse Reflectance Measurements Using an FTIR and a Commercial Integrating Sphere." Applied Optics 57, no. 3:432-446. PNNL-SA-128926. doi:10.1364/AO.57.000432
• Malathy Devi V., R.R. Gamache, B. Vispoel, C.L. Renaud, D.C. Benner, M.A. Smith, and T.A. Blake, et al. 2018. "Line shape parameters of air-broadened water vapor transitions in the nu(1) and nu(3) spectral region." Journal of Molecular Spectroscopy 348. PNNL-SA-128866. doi:10.1016/j.jms.2017.11.011

2017

• Arsenault E.A., D.A. Obenchain, T.A. Blake, S.A. Cooke, and S.E. Novick. 2017. "A study of the Conformational Isomerism of -lodobutane by High Resolution Rotational Spectroscopy." Journal of Molecular Spectroscopy 335. PNNL-SA-123377. doi:10.1016/j.jms.2017.03.014
• Blake T.A., C.S. Brauer, and C.J. Thompson. 2017. The Infrared Spectroscopy of Equilibrium Mixtures of Vapor-Phase Water and Hydrogen Fluoride. PNNL-26427. Richland, WA: Pacific Northwest National Laboratory. The Infrared Spectroscopy of Equilibrium Mixtures of Vapor-Phase Water and Hydrogen Fluoride
• Blake T.A., C.S. Brauer, M.K. Kelly-Gorham, S.D. Burton, M. Bliss, T.L. Myers, and T.J. Johnson, et al. 2017. "Measurement of the infrared optical constants for spectral modeling: n and k values for (NH4)2SO4 via single-angle reflectance and ellipsometric methods." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XXIII, April 9, 2017, Anaheim, California. Proceedings of the SPIE, edited by M Velez-Reyes and DW Messinger, 10198, Article No. 101980J. Bellingham, Washington:SPIE. PNNL-SA-124897. doi:10.1117/12.2264501
• Blake T.A., J. Flaud, and W.J. Lafferty. 2017. "First analysis of the rotationally-resolved ?2 and 2?2-?2 bands of sulfur dioxide, 33S16O2." Journal of Molecular Spectroscopy 333. PNNL-SA-120751. doi:10.1016/j.jms.2016.12.011
• Flaud J., T.A. Blake, and W.J. Lafferty. 2017. "First high-resolution analysis of the ?1, ?3 and ?1 + ?3 bands of sulfur dioxide 33S16O2." Molecular Physics 115, no. 4:447-453. PNNL-SA-121711. doi:10.1080/00268976.2016.1269966
• Zheng J., V.S. Vemuri, L. Estevez, P.K. Koech, T. Varga, D.M. Camaioni, and T.A. Blake, et al. 2017. "Pore-Engineered Metal-Organic Frameworks with Excellent Adsorption of Water and Fluorocarbon Refrigerant for Cooling Applications." Journal of the American Chemical Society 139, no. 31:10601-10604. PNNL-SA-124980. doi:10.1021/jacs.7b04872

2016

• Arsenault E.A., D.A. Obenchain, Y. Choi, T.A. Blake, S.A. Cooke, and S.E. Novick. 2016. "A Study of 2-Iodobutane by Rotational Spectroscopy." Journal of Physical Chemistry A 120, no. 36:7145-7151. PNNL-SA-118921. doi:10.1021/acs.jpca.6b06938
• Beiswenger T.N., T.L. Myers, C.S. Brauer, Y. Su, T.A. Blake, A.B. Ertel, and R.G. Tonkyn, et al. 2016. "Experimental Effects on IR Reflectance Spectra: Particle Size and Morphology." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XXII, April 17, 2016, Baltimore, Maryland. Proceedings of the SPIE, edited by M Velez-Reyes and DW Messinger, 9840, Paper No. 98400I. Bellingham, Washington:SPIE. PNNL-SA-117157. doi:10.1117/12.2223909
• Erickson B.A., X. Ju, J.W. Nibler, C.M. Beaudry, and T.A. Blake. 2016. "High-Resolution Infrared Studies of Perdeutero-Spiropentane, C5D8." Journal of Molecular Spectroscopy 325. PNNL-SA-118043. doi:10.1016/j.jms.2016.05.003
• Lindenmaier R., N.M. Tipton, R.L. Sams, C.S. Brauer, T.A. Blake, S.D. Williams, and T.J. Johnson. 2016. "Assignment of the Fundamental Modes of Hydroxyacetone Using Gas-Phase Infrared, Far-Infrared, Raman and ab Initio Methods: Band Strengths for Atmospheric Measurements." Journal of Physical Chemistry A 120, no. 30:5993-3003. PNNL-SA-117947. doi:10.1021/acs.jpca.6b05045

2015

• Brauer C.S., T.J. Johnson, T.L. Myers, Y. Su, T.A. Blake, and B.M. Forland. 2015. "Effects of Sample Preparation on the Infrared Reflectance Spectra of Powders." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XVI, April 20, 2015, Baltimore, Maryland. Proceedings of the SPIE, 9455, Article No. 945505. Bellingham, Washington:SPIE. PNNL-SA-109821. doi:10.1117/12.2179736
• Johnson T.J., T.A. Blake, C.S. Brauer, Y. Su, B.E. Bernacki, T.L. Myers, and R.G. Tonkyn, et al. 2015. "Reflectance Spectroscopy for Sample Identification: Considerations for Quantitative Library Results at Infrared Wavelengths." In International Conference on Advanced Vibrational Spectroscopy (ICAVS 8), July 12-17, 2015, Vienna, Austria, 454-455. Vienna:ICAVS. PNNL-SA-113555.
• Maki A.G., J.E. Price, J. Harzan, J.W. Nibler, A. Weber, T. Masiello, and T.A. Blake. 2015. "Analysis of several high-resolution infrared bands of spiropentane, C5H8." Journal of Molecular Spectroscopy 312. PNNL-SA-111275. doi:10.1016/j.jms.2015.03.013
• Myers T.L., C.S. Brauer, Y. Su, T.A. Blake, R.G. Tonkyn, A.B. Ertel, and T.J. Johnson, et al. 2015. "Quantitative Reflectance Spectra of Solid Powders as a Function of Particle Size." Applied Optics 54, no. 15:4863-4875. PNNL-SA-108358. doi:10.1364/AO.54.004863

2014

• Blake T.A., T.J. Johnson, R.G. Tonkyn, B.M. Forland, T.L. Myers, C.S. Brauer, and Y. Su. 2014. "Quantitative Total and Diffuse Reflectance Laboratory Measurements for Remote, Standoff, and Point Sensing." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XV, May 5, 2014, Baltimore, Maryland. Proceedings of the SPIE, edited by AW Fountain, 9073, Paper No. 907303. Bellingham, Washington:SPIE. PNNL-SA-103272. doi:10.1117/12.2054116
• Brauer C.S., T.A. Blake, A.B. Guenther, S.W. Sharpe, R.L. Sams, and T.J. Johnson. 2014. "Quantitative infrared absorption cross sections of isoprene for atmospheric measurements." Atmospheric Measurement Techniques 7, no. 11:3839-3847. PNNL-SA-101735. doi:10.5194/amt-7-3839-2014
• Brauer C.S., T.J. Johnson, T.A. Blake, S.W. Sharpe, R.L. Sams, and R.G. Tonkyn. 2014. "The Northwest Infrared (NWIR) gas-phase spectral database of industrial and environmental chemicals: Recent updates." In Advanced Environmental, Chemical, and Biological Sensing Technologies XI, May 5, 2014, Baltimore, Maryland. Proceedings of the SPIE, edited by T Vo-Dinh, RA Lieberman and GG Gauglitz, 9106, Paper No. 910604. Bellingham, Washington:SPIE. PNNL-SA-102648. doi:10.1117/12.2053591
• Craig N.C., Y. Chen, H. van Besien, and T.A. Blake. 2014. "Analysis of the rotational structure in the high-resolution infrared spectra of trans-hexatriene-2-d1 and -3-d1." Journal of Molecular Spectroscopy 303. PNNL-SA-102173. doi:10.1016/j.jms.2014.07.001
• Ding F., W. Xu, X. Chen, J. Zhang, Y. Shao, M.H. Engelhard, and Y. Zhang, et al. 2014. "Effects of Cesium Cations in Lithium Deposition via Self-Healing Electrostatic Shield Mechanism." Journal of Physical Chemistry C 118, no. 8:4043-4049. PNNL-SA-98906. doi:10.1021/jp4127754
• Kelly J.F., R.L. Sams, T.A. Blake, and J.M. Kriesel. 2014. "Further developments of capillary absorption spectrometers using small hollow-waveguide fibers." In Quantum Sensing and Nanophotonic Devices XI, February 1, 2014, San Francisco, California. Proceedings of the SPIE, edited by M Razeghi, E Tournie and GJ Brown, 8993, Paper No. 89931O. Bellingham, Washington:SPIE. PNNL-SA-99950. doi:10.1117/12.2042734
• Myers T.L., C.S. Brauer, Y. Su, T.A. Blake, T.J. Johnson, and R.L. Richardson. 2014. "The Influence of Particle Size on Infrared Reflectance Spectra." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XX, May 5, 2014, Baltimore, Maryland. Proceedings of the SPIE, edited by M Velez-Reyes and FA Kruse, 9088, Paper No. 908809. Bellingham, Washington:SPIE. PNNL-SA-102635. doi:10.1117/12.2053350
• Su Y., T.L. Myers, C.S. Brauer, T.A. Blake, B.M. Forland, J.E. Szecsody, and T.J. Johnson. 2014. "Infrared reflectance spectra: Effects of particle size, provenance and preparation." In Optics and Photonics for Counterterrorism, Crime Fighting, and Defence X; and Optical Materials and Biomaterials in Security and Defence Systems Technology XI, 9253, Art. No. 925304. Amsterdam:Douglas Burgess, Roberto Zamboni, et al. PNNL-SA-106258. doi:10.1117/12.2069954

2013

• Craig N.C., Y. Chen, Y. Lu, C.F. Neese, D.J. Nemchick, and T.A. Blake. 2013. "Analysis of the rotational structure in the high-resolution infrared spectra of cis,cis- and trans,trans-1,4-difluorobutadiene-1-d1 and trans,trans-1,4-difluorobutadiene-1,4-d2." Journal of Molecular Spectroscopy 288. PNNL-SA-93686. doi:10.1016/j.jms.2013.03.006
• Ding F., W. Xu, X. Chen, J. Zhang, M.H. Engelhard, Y. Zhang, and B.R. Johnson, et al. 2013. "Effects of Carbonate Solvents and Lithium Salts on Morphology and Coulombic Efficiency of Lithium Electrode." Journal of the Electrochemical Society 160, no. 10:A1894-A1901. PNNL-SA-96244. doi:10.1149/2.100310jes
• Phillips M.C., I.M. Craig, and T.A. Blake. 2013. "Reflection-Absorption Infrared Spectroscopy of Thin Films Using an External Cavity Quantum Cascade Laser." In Quantum Sensing and Nanophotonic Devices X, February 2, 2013, San Francisco, California. Proceedings of the SPIE, edited by M Razeghi, 8631, Paper No. 86310C. Bellingham, Washington:SPIE. PNNL-SA-92467. doi:10.1117/12.2002849
• Sweet L.E., D.D. Reilly, D.G. Abrecht, E.C. Buck, D.E. Meier, Y. Su, and C.S. Brauer, et al. 2013. "Spectroscopic Studies of the Several Isomers of UO3." In Optics and Photonics for Counterterrorism, Crime Fighting and Defence IX; and Optical Materials and Biomaterials in Security and Defence Systems Technology X, September 23, 2013, Dresden, Germany. Proceedings of the SPIE, edited by R Zamboni, et al, 8901, Paper No. 890107. Bellingham, Washington:SPIE. PNNL-SA-98300. doi:10.1117/12.2029408
• Sweet L.E., T.A. Blake, C.H. Henager, S.Y. Hu, T.J. Johnson, D.E. Meier, and S.M. Peper, et al. 2013. "Investigation of the Polymorphs and Hydrolysis of Uranium Trioxide." Journal of Radioanalytical and Nuclear Chemistry 296, no. 1:105-110. PNNL-SA-86645. doi:10.1007/s10967-012-2063-9
• Wright C.R., J. Holmes, J.W. Nibler, K. Hedberg, J.D. White, L. Hedberg, and A. Weber, et al. 2013. "High-Resolution Infrared and Electron-Diffraction Studies of Trimethylenecyclopropane ([3]-Radialene)." Journal of Physical Chemistry A 117, no. 19:4035-4043. PNNL-SA-95554. doi:10.1021/jp401813t

2012

• Craig N.C., H. Tian, and T.A. Blake. 2012. "Analysis of the Rotational Structure in the High-Resolution Infrared Spectrum of trans-Hexatriene-1-13C1; a Semiexperimental Equilibrium Structure for the C6 Backbone for trans-Hexatriene." Journal of Physical Chemistry A 116, no. 12:3148-3155. PNNL-SA-82618. doi:10.1021/jp211791r
• Duxbury G., J.F. Kelly, T.A. Blake, and N. Langford. 2012. "Observation of Infrared Free-Induction Decay and Optical Nutation Signals from Nitrous Oxide Using a Current Modulated Quantum Cascade Laser." Journal of Chemical Physics 136, no. 17:174317. PNNL-SA-84720. doi:10.1063/1.4710540
• Duxbury G., J.F. Kelly, T.A. Blake, and N. Langford. 2012. "Sub-Doppler Spectra of Infrared Hyperfine Transitions of Nitric Oxide Using a Pulse Modulated Quantum Cascade Laser: Rapid Passage, Free Induction Decay and the AC Stark Effect." Journal of Chemical Physics 136, no. 17:174319. PNNL-SA-82230. doi:10.1063/1.4710542
• Duxbury G., J.F. Kelly, T.A. Blake, and N. Langford. 2012. "The AC-Stark Effect in Nitric Oxide Induced by Rapidly Swept Continuous Wave Quantum Cascade Lasers." Journal of Chemical Physics 136, no. 17:174318. PNNL-SA-82175. doi:10.1063/1.4710541
• Kelly J.F., R.L. Sams, T.A. Blake, M.K. Newburn, J.J. Moran, M.L. Alexander, and H.W. Kreuzer. 2012. "A Capillary Absorption Spectrometer for Stable Carbon Isotope Ratio (13C/12C) Analysis in Very Small Samples." Review of Scientific Instruments 83, no. 2:Article No. 023101. PNNL-SA-81307. doi:10.1063/1.3680593
• Kelly J.F., T.A. Blake, B.E. Bernacki, and T.J. Johnson. 2012. "Design Considerations for a Portable Raman Probe Spectrometer for Field Forensics." International Journal of Spectroscopy 2012. PNNL-SA-86322. doi:10.1155/2012/938407
• Kirkpatrick R.W., T. Masiello, M.A. Martin, J.W. Nibler, A. Maki, A. Weber, and T.A. Blake. 2012. "High-resolution infrared studies of the ?10, ?11, ?14, and ?18 levels of [1.1.1]propellane." Journal of Molecular Spectroscopy 281. PNNL-SA-89494. doi:10.1016/j.jms.2012.09.001
• Perry A.J., M.A. Martin, J.W. Nibler, A.G. Maki, A. Weber, and T.A. Blake. 2012. "Coriolis Analysis of Several High-Resolution Infrared Bands of Bicyclo[111]pentane-d(0) and -d(1)." Journal of Molecular Spectroscopy 276-277. PNNL-SA-87628. doi:10.1016/j.jms.2012.06.008
• Sams R.L., S.S. Xantheas, and T.A. Blake. 2012. "Vapor Phase Infrared Spectroscopy and Ab Initio Fundamental Anharmonic Frequencies of Ammonia Borane." Journal of Physical Chemistry A 116, no. 12:3124-3136. PNNL-SA-84352. doi:10.1021/jp2115753
• Sweet L.E., E.C. Buck, C.H. Henager, S.Y. Hu, D.E. Meier, S.M. Peper, and J.M. Schwantes, et al. 2012. "Investigations into the Polymorphs and Hydration Products of UO3." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XIII, April 24, 2012, Baltimore, Maryland. Proceedings of the SPIE, edited by AW Fountain III, 8358, Article No. 83581R. Bellingham, Washington:SPIE. PNNL-SA-87572. doi:10.1117/12.919706

2011

• Goss L.M., W.R. Hess, T.A. Blake, and R.L. Sams. 2011. "The High-Resolution, Jet-cooled Infrared Spectrum of Pentafluoroethane." Journal of Molecular Spectroscopy 265, no. 2:81-85. PNNL-SA-79075. doi:10.1016/j.jms.2010.11.002
• Price J.E., K.A. Coulterpark, T. Masiello, J.W. Nibler, A. Weber, A.G. Maki, and T.A. Blake. 2011. "High-Resolution Infrared Spectra of Spiropentane, C5H8." Journal of Molecular Spectroscopy 269, no. 1:129-136. PNNL-SA-78852. doi:10.1016/j.jms.2011.05.011

2010

• Bernacki 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:10.1117/12.870739
• 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.2010.05.002
• Devi V.M., C.P. Rinsland, D.C. Benner, R.L. Sams, and T.A. Blake. 2010. "Multispectrum analysis of the v9 band of 12C2H6: Positions, intensities, self- and N2-broadened half-width coefficients." Journal of Quantitative Spectroscopy and Radiative Transfer 111, no. 9:1234-1251. PNNL-SA-68767. doi:10.1016/j.jqsrt.2009.10.017
• Gallagher N.B., J.F. Kelly, and T.A. Blake. 2010. "Passive Infrared Hyperspectral Imaging for Standoff Detection of Tetryl Explosive Residue on a Steel Surface." In Proceedings of the 2nd Workshop on Hyperspectral Image and Signal Processing: Evolution in Remote Sensing (WHISPERS), June 14-16, 2010, Reykjavik, Iceland. Piscataway, New Jersey:IEEE. PNNL-SA-70717. doi:10.1109/WHISPERS.2010.5594839
• Johnson T.J., T.A. Blake, R.L. Sams, and S.D. Burton. 2010. "Absolute Infrared Cross Sections of Gas-Phase H2O2 Using Fourier Transform Mid-Infrared Spectroscopy." In Fourier Transform Spectrometry, OSA Technical Digest, April 26-30, 2009, Vancouver, BC, Canada, Paper No. FWA6. Washington Dc:Optical Society of America. PNNL-SA-64316.
• Maki A., A. Weber, J.W. Nibler, T. Masiello, T.A. Blake, and R.W. Kirkpatrick. 2010. "High resolution infrared spectroscopy of [1.1.1]propellane: the region of the v9 band." Journal of Molecular Spectroscopy 264, no. 1:26-36. PNNL-SA-73401. doi:10.1016/j.jms.2010.08.008
• Malathy Devi V., D.C. Benner, C. Rinsland, M. Smith, R.L. Sams, T.A. Blake, and J.M. Flaud, et al. 2010. "Multispectrum measurements of spectral line parameters including temperature dependences of N2- and self-broadened half-width coefficients in the region of the v9 band of 12C2H6." Journal of Quantitative Spectroscopy and Radiative Transfer 111, no. 17-18:2481-2504. PNNL-SA-73488. doi:10.1016/j.jqsrt.2010.07.010
• Martin M.A., A.J. Perry, T. Masiello, K.D. Schwartz, J.W. Nibler, A. Weber, and A. Maki, et al. 2010. "High-Resolution Infrared Spectra of Bicyclo[1.1.1]pentane." Journal of Molecular Spectroscopy 262, no. 1:42-48. PNNL-SA-72086. doi:10.1016/j.jms.2010.04.010

2009

• Blake T.A., J.F. Kelly, N.B. Gallagher, P.L. Gassman, and T.J. Johnson. 2009. "Passive Standoff Detection of RDX Residues on Metal Surfaces via Infrared Hyperspectral Imaging." Analytical and Bioanalytical Chemistry 395, no. 2:337-348. PNNL-SA-64981.
• Johnson T.J., R.L. Sams, S.D. Burton, and T.A. Blake. 2009. "Absolute integrated intensities of vapor-phase hydrogen peroxide (H202) in the mid-infrared at atmospheric pressure." Analytical and Bioanalytical Chemistry 395, no. 2:377-386. PNNL-SA-65048. doi:10.1007/s00216-009-2805-x
• Kirkpatrick R.W., T. Masiello, N. Jariyasopit, J.W. Nibler, A.G. Maki, T.A. Blake, and A. Weber. 2009. "High-resolution rovibrational study of the Coriolis-coupled nu(12) and nu(15) modes of [1.1.1]propellane." Journal of Molecular Spectroscopy 253, no. 1:41-50. PNNL-SA-61274.
• Lin W., W.C. Pringle, S.E. Novick, and T.A. Blake. 2009. "Microwave Spectrum of the Argon-Tropolone van der Waals Complex." Journal of Physical Chemistry A 113, no. 47:13076-13080. PNNL-SA-64502.
• Maki A., T. Masiello, T.A. Blake, J.W. Nibler, and A. Weber. 2009. "On the Determination of C0 (or A0), D0K, H0K, and Some Dark States for Symmetric-top Molecules from Infrared Spectra without the Need for Localized Perturbations." Journal of Molecular Spectroscopy 255, no. 1:56-62. PNNL-SA-63923.
• Masiello T., A. Maki, and T.A. Blake. 2009. "Analysis of the High-Resolution Infrared Spectrum of Cyclopropane." Journal of Molecular Spectroscopy 255, no. 1:45-55. PNNL-SA-64978.

2008

• Gallagher N.B., P.L. Gassman, and T.A. Blake. 2008. "Detection of Low Volatility Organic Analytes on Soils Using Infrared Reflection Spectroscopy." Journal of Near Infrared Spectroscopy 16, no. 3:179-187. PNNL-SA-56461. doi:10.1255/jnirs.776
• Gallagher N.B., P.L. Gassman, and T.A. Blake. 2008. "Strategies for Detecting Organic Liquids on Soils Using Mid-Infrared Reflection Spectroscopy." Environmental Science & Technology 42, no. 15:5700-5705. PNNL-SA-59030. doi:10.1021/es8005404
• Kelly J.F., A. Maki, T.A. Blake, and R.L. Sams. 2008. "Supersonic Free-jet Quantum Cascade Laser Measurements of v4 for CF3(35)Cl and CF3(37)Cl and FTS Measurements from 400 to 1260 cm-1." Journal of Molecular Spectroscopy 252, no. 1:81-89. PNNL-SA-60884. doi:10.1016/j.jms.2008.07.001
• Kirkpatrick R.W., T. Masiello, N. Jariyasopit, A. Weber, J.W. Nibler, A. Maki, and T.A. Blake, et al. 2008. "High Resolution Infrared Spectroscopy of [1.1.1] Propellane." Journal of Molecular Spectroscopy 248, no. 2:153-160. PNNL-SA-58206.
• Kleiner I., N. Moazzen-Ahmadi, A.W. McKellar, T.A. Blake, R.L. Sams, S.W. Sharpe, and G. Moruzzi, et al. 2008. "Assignment, Fit, and Theoretical Discussion of the v10 Band of Acetaldehyde Near 509 cm-1." Journal of Molecular Spectroscopy 252, no. 2:214-229. PNNL-SA-61355. doi:10.1016/j.jms.2008.09.004
• Rinsland C.P., V.M. Devi, D.C. Benner, T.A. Blake, R.L. Sams, L.R. Brown, and I. Kleiner, et al. 2008. "Multispectrum Analysis of the v4 Band of CH3CN: Positions, Intensities, Self and N2 Broadening and Pressure-Induced Shifts." Journal of Quantitative Spectroscopy and Radiative Transfer 109, no. 6:974-994. PNNL-SA-58205. doi:10.1016/j.jqsrt.2007.11.013
• Rinsland C.P., V.M. Devi, T.A. Blake, R.L. Sams, S.W. Sharpe, and L. Chiou. 2008. "Quantitative Measurement of Integrated Band Intensities of Benzene Vapor in the Mid-Infrared at 278, 298, and 323 K." Journal of Quantitative Spectroscopy and Radiative Transfer 109, no. 15:2511-2522. PNNL-SA-59000.
• Smith M., C.P. Rinsland, T.A. Blake, R.L. Sams, D.C. Benner, and V.M. Devi. 2008. "Low Temperature Measurements of HCN Broadened by N2 in the 14-micron Spectral Region." Journal of Quantitative Spectroscopy and Radiative Transfer 109, no. 6:922-951. PNNL-SA-57755. doi:10.1016/j.jqsrt.2007.12.017

2007

• Blake T.A., E.D. Glendening, R.L. Sams, S.W. Sharpe, and S.S. Xantheas. 2007. "High Resolution Infrared Spectroscopy in the 1200--1300 cm-1 Region and Accurate Theoretical Estimates for the Structure and Ring-Puckering Barrier of Perfluorocyclobutane." Journal of Physical Chemistry A 111, no. 44:11328-11341. PNNL-SA-54711. doi:10.1021/jp072521f
• Masiello T., A.G. Maki, and T.A. Blake. 2007. "The Analysis of Combination and Overtone States of 11BF3 from 1650 to 4600 cm-1." Journal of Molecular Spectroscopy 243, no. 1:16-31. PNNL-SA-52820. doi:10.1016/j.jms.2007.02.019
• Perrin A.M., E. Bertseva, J. Flaud, D.R. Collett, H. Burger, T. Masiello, and T.A. Blake. 2007. "High Resolution Infrared Study of the 2v9 and v4 Bands of 10BF2OH and 11BF2OH: Evidence of Large Amplitude Effects for the OH- Torsion and OH-Bending Modes in the 9(2) and 4(1) and Excited States." Molecular Physics 105, no. 13-14:1833-1848. PNNL-SA-54543. doi:10.1080/00268970701426992

2006

• Gallagher N.B., T.A. Blake, P.L. Gassman, J.M. Shaver, and W. Windig. 2006. "Multivariate Curve Resolution Applied to Infrared Reflection Measurements of Soil Contaminated with an Organophosphorus Analyte." Applied Spectroscopy 60, no. 7:713-722. PNNL-SA-43768. doi:10.1366/000370206777887026
• Keske J.C., W. Lin, W.C. Pringle, S.E. Novick, T.A. Blake, and D.F. Plusquellic. 2006. "High Resolution studies of Tropolone in the So and S1 Electronic States: Isotope Driven Dynamics in the Zero-Point Energy Levels." Journal of Chemical Physics 124, no. 7:074309. PNNL-SA-45426. doi:10.1063/1.2165652
• Maki A., J.K. Watson, T. Masiello, and T.A. Blake. 2006. "Observation of a Forbidden E"-A' (1) Infrared Transition in (BF3)-B-11." Journal of Molecular Spectroscopy 238, no. 2:135-144. PNNL-SA-48163.
• Xantheas S.S., and T.A. Blake. 2006. "Structure, Vibrational Spectra and Ring Puckering Barrier of Cyclobutane." Journal of Physical Chemistry A 110. PNNL-SA-36478. doi:10.1021/jp062472r

2005

• Gallagher N.B., T.A. Blake, and P.L. Gassman. 2005. "Application of Extended Inverse Scatter Correction to Mid-Infrared Reflectance Spectra of Soil." Journal of Chemometrics 19, no. 5-7:271-281. PNNL-SA-43038. doi:10.1002/cem.929
• Maki A.G., T. Masiello, and T.A. Blake. 2005. "The High-Resolution Infrared Spectrum of 10BF3 from 400 to 4600 cm-1." Journal of Molecular Structure 742. PNNL-SA-42610. doi:10.1016/j.molstruc.2004.11.089
• Masiello T., A.G. Maki, and T.A. Blake. 2005. "The High-Resolution Infrared Spectrum of 11BF3 From 400 to 1650 cm-1." Journal of Molecular Spectroscopy 234, no. 1:122-136. PNNL-SA-45452.
• Redington R.L., T.E. Redington, T.A. Blake, R.L. Sams, and T.J. Johnson. 2005. "18O Effects on the Infrared Spectrum and Skeletal Tunneling of Tropolone." Journal of Chemical Physics 122. PNNL-SA-41670.

2004

• 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.
• 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.
• Maki A.G., T.A. Blake, R.L. Sams, J. Frieh, J.B. Barber, T. Masiello, and E. Chrysostom, et al. 2004. "Analysis of Some Combination-Overtone Infrared Bands of (SO3)-S-32-O-16." Journal of Molecular Spectroscopy 225, no. 2:109-122. PNNL-SA-41805.
• Masiello T., J.B. Barber, E. Chrysostom, J.W. Nibler, A. Maki, A. Weber, and T.A. Blake, et al. 2004. "Analysis of High-Resolution Infrared and CARS Spectra of ³4S¹8O3." Journal of Molecular Spectroscopy 223, no. 2004:84-95. PNNL-SA-39401.
• Masiello T., N. Vulpanovici, J.B. Barber, E. Chrysostom, J.W. Nibler, A. Maki, and T.A. Blake, et al. 2004. "Analysis of High-Resolution Infrared and CARS Spectra of ³4S¹8O3." Journal of Molecular Spectroscopy 227, no. 1:50-59. PNNL-SA-40935.

2003

• Barber J.B., E. Chrysostom, T. Masiello, J.W. Nibler, A. Maki, A. Weber, and T.A. Blake, et al. 2003. "Analysis of the v2, v4 Infrared Hot Bands and v1 CARS Spectrum of 34S16O3." Journal of Molecular Spectroscopy 218, no. 2:204-212. PNNL-SA-38044.
• Barber J.B., T. Masiello, E. Chrysostom, J.W. Nibler, A. Maki, A. Weber, and T.A. Blake, et al. 2003. "High Resolution Infrared Studies of the v2, v4 Bands of 34S16O3, Including Both Intensity and Wavenumber Perturbations." Journal of Molecular Spectroscopy 218, no. 2:197-203. PNNL-SA-38039.
• Chackerian C., S.W. Sharpe, and T.A. Blake. 2003. "Anhydrous Nitric Acid Integrated Absorption Cross Sections: 820 - 5300 cm-1." Journal of Quantitative Spectroscopy and Radiative Transfer 82, no. 1-4:p. 429-441. PNNL-SA-37875.
• Kleiner I., G. Tarrago, C. Cottaz, L. Sagui, L.R. Brown, R.L. Poynter, and H.M. Pickett, et al. 2003. "NH3 and PH3 Line Parameters: The 2000 HITRAN Update and New Results." Journal of Quantitative Spectroscopy and Radiative Transfer 82, no. 1-4:293-312. PNNL-SA-39592.
• Sharpe S.W., T.A. Blake, R.L. Sams, A. Maki, A. Masiello, J.B. Barber, and N. Vulpanovici, et al. 2003. "The v(2) and 2 v3 Bands of (SO3)-S-32-O-16, (SO3)-S-32-O-18, (SO3)-S-34-O-16 and (SO3)-S-34-O-18." Journal of Molecular Spectroscopy 222, no. 2:142-152. PNNL-SA-37992.

2002

• Barber J.B., E. Chrysostom, T. Masiello, J.W. Nibler, A. Maki, A. Weber, and T.A. Blake, et al. 2002. "Analysis of v2, v4 Infrared Hot Bands of 32S16O3: Resolution of the Puzzle of the v1 CARS Spectrum." Journal of Molecular Spectroscopy 216. PNNL-SA-36309.
• Barber J.R., E. Chrysostom, T. Masiello, J.W. Nibler, A.R. Maki, A.M. Weber, and T.A. Blake, et al. 2002. "Analysis of nu(2), nu(4) infarared Hot Bands of (SO3)-S-32-O-16: Resolution of the Puzzle of the nu(1) CARS Spectrum." Journal of Molecular Spectroscopy 216, no. 1:105-112. PNNL-SA-39752.
• Blake T.A., and P.L. Gassman. 2002. "Detection of Soil Surface Contaminants by Infrared Reflection Spectroscopy." In Vibrational Spectroscopy-based Sensor Systems, Proceedings of the SPIE, edited by S.D. Christensen, A.J. Sedlacek, 4577, 239-261. Bellingham, Washington:SPIE-International Society of Optical Engineering. PNNL-SA-36389.
• Blake T.A., J.F. Kelly, T.L. Stewart, J.S. Hartman, S.W. Sharpe, and R.L. Sams. 2002. "Absorption Spectroscopy in Hollow-Glass Waveguides Using Infrared Diode Lasers [4817-25]." In Diode Lasers and Applications in Atmospheric Sensing : Proceedings of SPIE--the International Society for Optical Engineering : 10-11 July 2002, Seattle, USA, edited by Alan Fried, 4817, 216-232. Bellingham, Washington:SPIE - the International Society for Optical Engineering. PNNL-SA-36612.
• Blake T.A., J.F. Kelly, T.L. Stewart, J.S. Hartman, S.W. Sharpe, and R.L. Sams. 2002. "Absorption spectroscopy in hollow-glass waveguides using infrared laser diodes." In Diode Lasers and Applications in Atmospheric Sensing, SPIE Proceedings, edited by A. Fried, 4817, 216-232. Bellingham, Washington:SPIE. PNNL-SA-36856.
• Johnson T.J., R.L. Sams, T.A. Blake, S.W. Sharpe, and P.M. Chu. 2002. "Removing Aperture-Induced Artifacts from Fourier Transform Infrared Intensity Values." Applied Optics 41, no. 15:2831-2839. PNNL-SA-35176.
• Kelly J.F., R.S. Disselkamp, R.L. Sams, T.A. Blake, S.W. Sharpe, D. Richter, and A. Fried. 2002. "Optimization of cw-QC Lasers for Doppler and sub-Doppler Molecular Spectroscopy." In Diode lasers and applications in atmospheric sensing : 10-11 July 2002, Seattle, Wash.; SPIE proceedings series, edited by Fried, A., 4817, 43-72. Bellingham, Washington:Int. Society Optical Engineering. PNNL-SA-37024.

2001

• Chrysostom E., N. Vulpanovici, A. Masiello, J.B. Barber, J.W. Nibler, A. Weber, and A. Maki, et al. 2001. "Coherent Raman and Infrared Studies of Sulfur Trioxide." Journal of Molecular Spectroscopy 210. PNNL-SA-34955.
• 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.
• 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.

2000

• Blake 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.
• Lafferty 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.

1999

• 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.

1998

• 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.

1996

• Sharpe 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:10.1117/12.255314
• Xu 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