Paul Marshall

Previous Scheduled Teaching

Published Intellectual Contributions

Abstracts and Proceedings

• Marshall, P., Misra, A., Yuan, J., Berry , R., McIlroy, A. (1997). Elementary Reactions and a Mechanism for the Suppression of Hydrogen Fires by CF3I. Proceedings of the 1997 Halon Options Technical Working Conference, 262.
• Paige, H., Berry, R.J., Schwartz, M., Marshall, P., Burgess , D., Nyden, M.R. (1996). Ab Initio Calculations and Kinetics Modeling of Halon and Halon Replacements. Proceedings of the 1996 Halon Options Technical Working Conference, 259-270.

Book Chapter

• Berry, R.J., Schwartz , M., Marshall, P. (1998). "Ab Initio Calculations for Kinetic Modeling of Halocarbons". Computational Thermochemistry: Prediction and Estimation of Molecular Thermodynamics. K. K. Irikura, D. J. Frurip, Eds.; ACS Symp. Ser. 677; ACS: Washington DC, 1998, Ch. 18.
• Marshall, P., O'Connor, P.B., Chan, W., Kristof , P.V., Goddard, J.D. (1992). "Reactions of Boron and Aluminum Atoms with Small Molecules". "Gas-Phase Metal Reactions". (A. Fontijn, Editor; North Holland, Amsterdam, 1992) Ch. 8.

Journal Article

• Glarborg, P., Chanpirak, A., Wu, H., Marshall, P. (2024). An Experimental, Theoretical, and Kinetic Modeling Study of Gas-Phase Sulfation of KCl. Fuel. 363 130974.
• Marshall, P., Chanpiraka, A., Wua, H., Glarborg, P. (2023). An experimental and chemical kinetic modeling study of the role of potassium in the moist oxidation of CO. Fuel. 335 127075.
• Cooper, S.P., Marshall, P., Mathieu, O., Pinzón, L.T., Mulvihill, C.R., Glarborg, P., Petersen, E.L. (2023). Experimental and Modeling Study of Water Time Histories during H2S-N2O Combustion in a Shock Tube. Proceedings of the Combustion Institute. 39 487-497.
• Assaf, E., Finewax, Z., Marshall, P., Veres, P.R., Neuman, J.A., Burkholder, J.B. (2023). Measurement of the Intramolecular Hydrogen-Shift Rate Coefficient for the CH3SCH2OO Radical between 314 and 433 K. Journal of Physical Chemistry A. 127 2336-2350.
• Schmid, D., Weng, W., Li, S., Karlström, O., Hupa, M., Li, Z., Glarborg, P., Marshall, P., Aldén, M. (2023). Optical in-situ measurements and modeling of post-flame sulfation of NaOH(g) and NaCl(g). Fuel. 332 126337.
• Marshall, P., Glarborg, P. (2023). Probing high-temperature amine chemistry: Is the reaction NH3 + NH2 = N2H3 + H2 important?. Journal of Physical Chemistry A. 127 2601-2607.
• Cobos, C.J., Glarborg, P., Marshall, P., Troe, J. (2023). Re-Evaluation of Rate Constants for the Reaction N2H4 (+ M) ⇄ NH2 + NH2 (+ M). Combustion and Flame. 257 112374.
• Glarborg, P., Allingham, J.S., Skov, A.B., Hashemi, H., Marshall, P. (2023). Re-Examination of the N2O + O Reaction. Journal of Physical Chemistry A. 127 6521-6531.
• Gao, Y., Alecu, I.M., Hashemi, H., Glarborg, P., Marshall, P. (2023). Reactions of Hydrazine with the Amidogen Radical and Atomic Hydrogen. Proceedings of the Combustion Institute. 39 571-579.
• Chanpirak, A., Hashemi, H., Frandsen, F.J., Wu, H., Glarborg, P., Marshall, P. (2023). The chemical coupling between moist CO oxidation and gas-phase potassium sulfation. Fuel. 336 127127.
• Li, M., He, X., Hashemi, H., Glarborg, P., Lowe, V., Marshall, P., Fernandes, R., Shu, B. (2022). An Experimental and Modeling Study on Auto-Ignition Kinetics of Ammonia/Methanol Mixtures at Intermediate Temperature and High Pressure. Combustion and Flame. 242 112160.
• Glarborg, P., Hamid, H., Marshall, P. (2022). Challenges in Kinetic Modeling of Ammonia Pyrolysis. Fuel Communications. 10 100049.
• Marshall, P., Burkholder, J. (2022). Comment on 'Extremely rapid self-reactions of hydrochlorofluoromethanes and hydrochlorofluoroethanes and implications in destruction of ozone'. Chemical Physics Letters. 800 139411.
• Marshall, P., Burkholder, J.B. (2022). Computational study of the gas-phase reactions of sulfuric acid with OH(2PJ), O(3PJ), Cl(2PJ) and O(1D) radicals. Chemical Physics Letters. 787 139203.
• Alecu, I., Gao, Y., Marshall, P. (2022). Experimental and Computational Studies of the Kinetics of the Reaction of Hydrogen Peroxide with the Amidogen Radical. The Journal of Chemical Physics. 157 014304.
• Sapkota, R., Marshall, P. (2022). Gas-Phase Chemistry of 1,1,2,3,3,4,4-Heptafluorobut-1-ene Initiated by Chlorine Atoms. Molecules. 27 647.
• Weng, W., Li, Z., Marshall, P., Glarborg, P. (2022). Participation of Alkali and Sulfur in Ammonia Combustion Chemistry: Investigation for Ammonia/Solid Fuel Co-Firing Applications. Combustion and Flame. 244 112236.
• Hashemi, H., Christensen, J.M., Marshall, P., Glarborg, P. (2021). Acetaldehyde Oxidation at High Pressure. Proceedings of the Combustion Institute. 38 269-278.
• Alzueta, M.U., Guerrero, M., Millera, A., Marshall, P., Glarborg, P. (2021). Experimental and Kinetic Modeling Study of Oxidation of Acetonitrile. Proceedings of the Combustion Institute. 38 575-583.
• Dai, L., Hashemi, H., Glarborg, P., Gersen, S., Marshall, P., Mokhov, A., Levinsky, H. (2021). Ignition Delay Times of NH3/DME Blends at High Pressure and Low DME fraction: RCM Experiments and Simulations. Combustion and Flame. 227 120-134.
• Chattopadhyay, A., Gierczak, T., Marshall, P., Papadimitriou, V., Burkholder, J. (2021). Kinetic Fall-Off Behavior for the Cl + Furan-2,5-dione (C4H2O3, Maleic Anhydride) Reaction. Physical Chemistry Chemical Physics. 23 4901-4911.
• Marshall, P., Rawling, G., Glarborg. (2021). New Reactions of Diazene and Related Species for Modelling Combustion of Amine Fuels. Molecular Physics. 119 e1979674.
• Krum, K., Jensen, M., Li, S., Norman, T., Marshall, P., Wu, H., Glarborg, P. (2021). Selective Noncatalytic Reduction of NOx using Ammonium Sulfate. Energy & Fuels. 35 12392-12402.
• Cobos, C., Knight, G., Marshall, P., Troe, J. (2021). Theoretical Modeling Study of the Reaction H + CF4 → HF + CF3. International Journal of Chemical Kinetics. 53 939-945.
• Burkholder, J.B., Marshall, P., Bera, P.P., Francisco, J.S., Lee, T.J. (2020). Climate Metrics for C1-C4 Hydrofluorocarbons (HFCs). Journal of Physical Chemistry A. 124 4793-4800.
• Glarborg, P., Andreasen, C.S., Hashemi, H., Qian, R., Marshall, P. (2020). Oxidation of Methylamine. International Journal of Chemical Kinetics. 52 893-906.
• Chattopadhyay, A., Papadimitriou, V.C., Marshall, P., Burkholder, J.B. (2020). Temperature-Dependent Rate Coefficients for the Gas-Phase OH + Furan-2,5-dione (C4H2O3, Maleic Anhydride) Reaction. International Journal of Chemical Kinetics. 52 623-631.
• Kerr, K.E., Gao, Y., Marshall, P. (2019). Experimental and Computational Studies of the Kinetics of the Reaction of Hydrogen Atoms with Carbon Disulfide. Proceedings of the Combustion Institute. 37 373-379.
• Marshall, P., Leung, C., Gimenez-Lopez, J., Rasmussen, C.T., Hashemi, H., Glarborg, P., Abian, M., Alzueta, M.U. (2019). The C2H2 + NO2 Reaction: Implications for High Pressure Oxidation of C2H2/NOx Mixtures. Proceedings of the Combustion Institute. 37 469-476.
• Marshall, P., Papadimitriou, V.C., Papanastasiou, D.K., Roberts, J.M., Burkholder, J.B. (2019). UV and Infrared Absorption Spectra and 248 nm Photolysis of Maleic Anhydride ( C4H2O3). Journal of Photochemistry and Photobiology. A382 111953.
• Singla, M., Rasmussen, M.L., Hashemi, H., Wu, H., Glarborg, P., Pelucchi, M., Faravelli, T., Marshall, P. (2018). Ab Initio Calculations and Kinetic Modeling of Thermal Conversion of Methyl Chloride: Implications for Gasification of Biomass. Physical Chemistry and Chemical Physics. 20 10741-10752.
• Papanastasiou, D.K., Beltrone, A., Marshall, P., Burkholder, J.B. (2018). Global Warming Potential Estimates for the C1-C3 Hydrochlorofluorocarbons (HCFCs) included in the Kigali Amendment to the Montreal Protocol. Other. 18 6317-6330.
• Baasandorj, M., Marshall, P., Waterland, R.L., Ravishankara, A.R., Burkholder, J.B. (2018). Rate Coefficient Measurements and Theoretical Analysis of the OH + (E)-CF3CH=CHCF3 Reaction. Journal of Physical Chemistry A. 122 4635-4646.
• Herath, T.N., , I.O., Clinch, E.C., Marshall, P. (2018). Relative Rate Studies of the Reactions of Atomic Chlorine with Acetone and Cyclic Ketones. International Journal of Chemical Kinetics. 50 41-46.
• Song, Y., Hashemi, H., Christensen, J., Zhou, C., Haynes, B., Marshall, P., Glarborg, P. (2017). An Exploratory Flow Reactor Study of H2S Oxidation at 30-100 Bar. International Journal of Chemical Kinetics. 49 37-52.
• Thompson, K.M., Gao, Y., Marshall, P., Wang, H., Zhou, L., Li, Y., Guo, H. (2017). Experimental and Theoretical Studies of the Reactions of Ground-State Sulfur Atoms with Hydrogen and Deuterium. Journal of Chemical Physics. 147 134302.
• Marshall, P., Glarborg, P. (2017). Importance of the Hydrogen Isocyanide Isomer in Modeling Hydrogen Cyanide Oxidation in Combustion. Energy & Fuels. 31 2156-2163.
• Kolb, B., Marshall, P., Zhao, B., Jiang, B., Guo, H. (2017). Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes. Journal of Physical Chemistry A. 121 2552-2557.
• Song, Y., Hashemi, H., Christensen, J., Zhou, C., Marshall, P., Glarborg, P. (2016). Ammonia Oxidation at High Pressure and Intermediate Temperatures. Fuel. 181 358-365.
• Gimenez-Lopez, J., Rasmussen, C., Hashemi, H., Alzueta, M., Gao, Y., Marshall, P., Goldsmith, C., Glarborg, P. (2016). Experimental and Kinetic Modeling Study of C2H2 Oxidation at High Pressure. International Journal of Chemical Kinetics. 48 724-738.
• Herath, T., Clinch, E., Orozco, I., Raign, E., Marshall, P. (2016). Relative Rate and Product Studies of the Reactions of Atomic Chlorine with Tetrafluoroethylene, 1,2-Dichloro-1,2-difluoroethylene, 1,1-Dichloro-2,2-difluoroethylene, and Hexafluoro-1,3-butadiene in the Presence of Oxygen. Journal of Physical Chemistry A. 120 7311-7319.
• Thompson, K., Gao, Y., Marshall, P. (2016). The Spin-Forbidden Reaction of Ground-State Sulfur Atoms with Ethylene. International Journal of Chemical Kinetics. 48 124-130.
• Marshall, P., Glarborg, P. (2015). Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation. Proceedings of the Combustion Institute. 35 153-160.
• Kerr, K., Alecu, I., Thompson, K., Gao, Y., Marshall, P. (2015). Experimental and Computational Studies of the Kinetics of the Reaction of Atomic Hydrogen with Methanethiol. Journal of Physical Chemistry A. 119 7352-7360.
• Faßheber, N., Friedrichs, G., Marshall, P., Glarborg, P. (2015). Glyoxal Oxidation Mechanism: Implications for the Reactions HCO + O2 and OCHCHO + HO2. Journal of Physical Chemistry A. 119 7305-7315.
• Gao, Y., Alecu, I.M., Goumri, A., Marshall, P. (2015). High-Temperature Kinetics of the Reaction between Chlorine Atoms and Hydrogen Sulfide. Chemical Physics Letters. 624 83-86.
• Ayling, S., Gao, Y., Marshall, P. (2015). Kinetic Studies of the Reaction of Atomic Sulfur with Acetylene. Proceedings of the Combustion Institute. 35 215-222.
• Sorvajärvi, T., Viljanen, J., Toivonen, J., Marshall, P., Glarborg, P. (2015). Rate Constant and Thermochemistry for K+O2+N2 = KO2+N2. Journal of Physical Chemistry A. 119 3329-3336.
• Glarborg, P., Marshall, P., Troe, J. (2015). Temperature- and Pressure-Dependence of the Reaction S + CS (+M) → CS2 (+M). Journal of Physical Chemistry A. 119 7277-7281.
• Gao, Y., Glarborg, P., Marshall, P. (2015). The Reaction Kinetics of Amino Radicals with Sulfur Dioxide. 229 1649-1661.
• Alecu, I.M., Marshall, P. (2014). Computational Study of the Thermochemistry of N2O5 and the Kinetics of the Reaction N2O5 + H2O → 2 HNO3. Journal of Physical Chemistry A. 118 11405-11416.
• Gao, Y., Marshall, P. (2014). Kinetic studies of the reaction NH2 + H2S. Chemical Physics Letters. 594 30.
• Glarborg, P., Halaburt, B., Marshall, P., Guillory, A., Troe, J., Thellefsen, M., Christensen, K. (2014). Oxidation of Reduced Sulfur Species: Carbon Disulfide. Journal of Physical Chemistry A. 118 6798-6809.
• Aranda, V., Christensen, J.M., Alzueta, M.U., Glarborg, P., Gersen, S., Gao, Y., Marshall, P. (2013). Experimental and Kinetic Modeling Study of Methanol Ignition and Oxidation at High Pressure. International Journal of Chemical Kinetics. 45 283.
• Rissanen, M.P., Amedro, D., Krasnoperov, L., Marshall, P., Timonen, R.S. (2013). Gas Phase Kinetics and Equilibrium of Allyl Radical Reactions with NO and NO2. Journal of Physical Chemistry A. 113 793.
• Glarborg, P., Marshall, P. (2013). Oxidation of Reduced Sulfur Species: Carbonyl Sulfide. International Journal of Chemical Kinetics. 45 429.
• Klippenstein, S., Harding, L., Glarborg, P., Gao, Y., Hu, H., Marshall, P. (2013). Rate Constant and Branching Fraction for the NH2 + NO2 Reaction. Journal of Physical Chemistry A. 117 9011. http://pubs.acs.org/doi/abs/10.1021/jp4068069
• Lucassen, A., Zhang, K., Warkentin, J., Mohammad, K., Glarborg, P., Marshall, P., Kohse-Hoeinghaus, K. (2012). Fuel-Nitrogen Conversion in the Combustion of Small Amines using Dimethylamine and Ethylamine as Biomass-Related Model Fuels. Combustion and Flame. 159 2254.
• Dixon-Lewis, G., Marshall, P., Ruscic, B., Burcat, A., Goos, E., Cuoci, A., Frassoldati, A., Faravelli, T., Glarborg, P. (2012). Inhibition of hydrogen oxidation by HBr and Br2. Combustion and Flame. 159 528.
• Thompson, K., Gao, Y., Marshall, P. (2012). Kinetic and theoretical investigations of the S + NO2 reaction. International Journal of Chemical Kinetics. 44 90.
• Golden, D., Peng, J., Goumri, A., Yuan, J., Marshall, P. (2012). Rate Constant for the Reaction C2H5 + HBr --> C2H6 + Br. Journal of Physical Chemistry A. 116 5847.
• Gao, Y., Marshall, P. (2011). An Experimental and Computational Study of the Reaction of Ground-State Sulfur Atoms with Carbon Disulfide. Journal of Chemical Physics. 135 144306.
• Giménez-López, J., Alzueta, M., Rasmussen, C., Marshall, P., Glarborg, P. (2011). High-Pressure Oxidation of C2H4/NO Mixtures. Proceedings of the Combustion Institute. 33 449.
• Gao, Y., Zhou, C., Sendt, K., Haynes, B., Marshall, P. (2011). Kinetic and Modeling Studies of the Reaction S + H2S. Proceedings of the Combustion Institute. 33 459.
• Marshall, P., Gao, Y., Glarborg, P. (2011). Predicted Thermochemistry and Unimolecular Kinetics of Nitrous Sulfide. Journal of Chemical Physics. 135 094301.
• Blitz, M., Shannon, R., Marshall, P., Pilling, M. (2010). An Experimental and Theoretical Study of the Reaction between NH(X3Σ-) and SO(X3Σ-). Other. 224 1009.
• Pimentel, A., Tyndall, G., Orlando, J., Hurley, M., Wallington, T., Andersen, M., Marshall, P., Dibble, T. (2010). Atmospheric Chemistry of Isopropyl Formate and tert-Butyl Formate. International Journal of Chemical Kinetics. 42 479.
• Gao, Y., DeYonker, N., Garrett, III, E.C., Wilson, A., Cundari, T., Marshall, P. (2009). Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation. Journal of Physical Chemistry A. 113 6955.
• Lopez, J., Rasmussen, C., Alzueta, M., Gao, Y., Marshall, P., Glarborg, P. (2009). Experimental and Kinetic Modeling Study of C2H4 Oxidation at High Pressure. Proceedings of the Combustion Institute. 32 367.
• Gao, Y., Marshall, P. (2009). Kinetic Studies of Chlorobenzene Reactions with Hydrogen Atoms and Phenyl Radicals and the Thermochemistry of 1-Chlorocyclohexadienyl Radicals. Proceedings of the Combustion Institute. 32 351.
• Gao, Y., Marshall, P. (2009). Kinetic Studies of the Reaction of Atomic Chlorine with Chlorobenzene. Chemical Physics Letters. 469 266.
• Glarborg, P., Marshall, P. (2009). The Rate Constant for the CO + H2O2 Reaction. Chemical Physics Letters. 475 40.
• Gao, Y., DeYonker, N.J., Garrett, III, E., Wilson, A.K., Cundari, T.R., Marshall, P. (2009). Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation. Journal of Physical Chemistry A. 113 (25) 6955-6963. 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, AMER CHEMICAL SOC.
• Gao, Y., Fessel, K., McLeod, C., Marshall, P. (2008). A Kinetic Study of the Reaction of Atomic Hydrogen with Iodobenzene. Chemical Physics Letters. 451 8.
• Hindiyarti, L., Frandsen, F., Livbjerg, H., Glarborg, P., Marshall, P. (2008). An Exploratory Study of Alkali Sulfate Aerosol Formation during Biomass Combustion. Fuel. 87 1591.
• Marshall, P. (2008). Computational Studies of the Thermochemistry of the Atmospheric Iodine Reservoirs HOI and IONO2. Advances in Quantum Chemistry. 55 159.
• Rasmussen, C.L., Hansen, J., Marshall, P., Glarborg, P. (2008). Experimental Measurements and Kinetic Modeling of CO/H2/O2/NOx Conversion at High Pressure. International Journal of Chemical Kinetics. 40 454.
• Eskola, A.J., Timonen, R.S., Marshall, P., Chesnokov, E.N., Krasnoperov, L.N. (2008). Rate Constants and Hydrogen Isotope Substitution Effects in the CH3 + HCl and CH3 + Cl2 Reactions. Journal of Physical Chemistry A. 112 7391.
• Gao, Y., Alecu, I., Hsieh, P., McLeod, A., McLeod, C., Jones, M., Marshall, P. (2007). Kinetics and Thermochemistry of the Addition of Atomic Chlorine to Acetylene. Proceedings of the Combustion Institute. 31 193.
• Rasmussen, C., Glarborg, P., Marshall, P. (2007). Mechanisms of radical removal by SO2. Proceedings of the Combustion Institute. 31 339.
• Cosic, B., Ermoline, A., Fontijn, A., Marshall, P. (2007). Metal ion-molecule kinetics at combustion temperatures: The reaction of Ca+ with O2. Proceedings of the Combustion Institute. 31 349.
• Hindiyarti, L., Glarborg, P., Marshall, P. (2007). Reactions of SO3 with the O/H Radical Pool under Combustion Conditions. Journal of Physical Chemistry A. 111 3984.
• Alecu, I.M., Gao, Y., Hsieh, P., Sand, J., Ors, A., McLeod, A., Marshall, P. (2007). Studies of the Kinetics and Thermochemistry of the Forward and Reverse Reaction Cl + C6H6 = HCl + C6H5. Journal of Physical Chemistry A. 111 3970.
• Fontijn, A., Shamsuddin, S., Crammond, D., Marshall, P., Anderson, W. (2006). Kinetics of the NH + H2 Reaction and Reassessment of HNO Formation from NH + CO2, H2O. Combustion and Flame. 145 543.
• Krasnoperov, L., Peng, J., Marshall, P. (2006). Modified Transition State Theory and Negative Apparent Activation Energies of Simple Metathesis Reactions: Application to the Reaction CH3 + HBr= CH4 + Br. Journal of Physical Chemistry A. 110 3110.
• Taylor, P., Yamada, T., Marshall, P. (2006). The Reaction of OH with Acetaldehyde and Deuterated Acetaldehyde: Further Insight into the Reaction Mechanism at both Low and Elevated Temperatures. International Journal of Chemical Kinetics. 38 489.
• McCabe, D., Rajakumar, B., Marshall, P., Smith, I., Ravishankara, A. (2006). The Relaxation of OH (v=1) and OD (v=1) by H2O and D2O at Temperatures from 251 to 390 K. Other. 8 4563.
• Yilmaz, A., Hindiyarti, L., Jensen, A., Glarborg, P., Marshall, P. (2006). Thermal Dissociation of SO3 at 1000-1400 K. Journal of Physical Chemistry A. 110 6654.
• Gao, Y., Alecu, I., Hsieh, P., Morgan, B., Marshall, P., Krasnoperov, L. (2006). Thermochemistry is not a Lower Bound to the Activation Energy of Endothermic Reactions: A Kinetic Study of the Gas-Phase Reaction of Atomic Chlorine with Ammonia. Journal of Physical Chemistry A. 110 6844.
• Marshall, P., Srinivas, G., Schwartz, M. (2005). A Computational Study of the Thermochemistry of Bromine and Iodine-Containing Methanes and Methyl Radicals. Journal of Physical Chemistry A. 109 6371.
• Naidoo, J., Goumri, A., Marshall, P. (2005). A Kinetic Study of the Reaction of Atomic Oxygen with SO2. Proceedings of the Combustion Institute. 30 1219.
• Glarborg, P., Marshall, P. (2005). Mechanism and Modeling of the Formation of Gaseous Alkali Sulfates. Combustion and Flame. 141 22.
• Koch, L., Marshall, P., Ravishankara, A. (2004). An Investigation of the Reaction of CH3S with CO. Journal of Physical Chemistry A. 108 5205.
• Yuan, J., Misra, A., Goumri, A., Shao , D., Marshall, P. (2004). Kinetic Studies of the Cl + HI Reaction using Three Techniques. Journal of Physical Chemistry A. 108 6857.
• Goumri, A., Shao, D., Marshall, P. (2004). Reaction Kinetics of the Addition of Atomic Sulfur to Nitric Oxide. Journal of Chemical Physics. 121 9999.
• Schwartz, M., Peebles, L., Berry, R., Marshall, P. (2003). A Computational Study of Chlorofluoro-Methyl Radicals. Journal of Chemical Physics. 118 557.
• Goumri, A., Yuan, J., Hommel, E., Marshall, P. (2003). Kinetic Studies of the Reactions of Hydroxyl Radicals with the Methyl-Substituted Silanes SiHn(CH3)4-n (n=0 to 4) at Room Temperature. Chemical Physics Letters. 375 149.
• Yamada, T., Taylor, P., Goumri , A., Marshall, P. (2003). The Reaction of OH with Acetone and Acetone-d6 from 298 to 832 K: Rate Coefficients and Mechanism. Journal of Chemical Physics. 119 10600.
• Peebles , L.R., Marshall, P. (2002). A Coupled-Cluster Study of the Enthalpy of Formation of Nitrogen Sulfide, NS. Chemical Physics Letters. 366 520.
• Peebles, L.R., Marshall, P. (2002). High Accuracy Coupled Cluster Computations of Bond Dissociation Energies in SH, H2S, and H2O. Journal of Chemical Physics. 117 3132.
• Gilles, M.K., Burkholder, J.B., Gierczak, T., Marshall, P., Ravishankara, A.R. (2002). Rate Coefficient and Product Branching Measurements for the Reaction OH + Bromopropane from 230 to 360 K. Journal of Physical Chemistry A. 106 5358.
• Tichenor, L.B., El Sinawi, A., Yamada, T., Taylor, P.H., Peng, J., Hu , X., Marshall, P. (2001). Kinetic Studies of the Reaction of Hydroxyl Radicals with Trichloroethylene and Tetrachloroethylene. Chemosphere. 42 571.
• Yamada, T., Siraj, M., Taylor, P.H., Peng, J., Hu , X., Marshall, P. (2001). Rate Coefficients and Mechanistic Analysis for Reaction of OH with Vinyl Chloride between 293 and 730 K. Journal of Physical Chemistry A. 105 9436.
• Yamada, T., El-Sinawi, A., Siraj, M., Taylor, P.H., Peng, J., Hu , X., Marshall, P. (2001). Rate Coefficients and Mechanistic Analysis for the Reaction of Hydroxyl Radicals with 1,1-Dichloroethylene and trans-1,2-Dichloroethylene over an Extended Temperature Range. Journal of Physical Chemistry A. 105 7588.
• Hu, X., Goumri , A., Marshall, P. (2001). The Kinetics of the Reaction of H Atoms with C4F6. Journal of Physical Chemistry A. 105 11220.
• Tichenor, L.B., Graham, J.L., Yamada, T., Taylor, P.H., Peng, J., Hu, X., Marshall, P. (2000). Kinetic and Modeling Studies of the Reaction of Hydroxyl Radicals with Tetrachloroethylene. Journal of Physical Chemistry A. 104 1700.
• Tichenor, L.B., Lozada-Ruiz, A.J., Yamada, T., El Sinawi, A., Taylor, P.H., Peng, J., Hu, X., Marshall, P. (2000). Reaction of Hydroxyl Radicals with Trichloroethylene: Evidence for Chlorine Elimination Channels at Elevated Temperatures. 28 1495. Proc. Combust. Inst..
• Marshall, P., Misra, A., Schwartz, M. (1999). A Computational Study of the Enthalpies of Formation of Halomethylidynes. Journal of Chemical Physics. 110 2069.
• Schwartz , M., Marshall, P. (1999). An Ab Initio Investigation of Halocarbenes. Journal of Physical Chemistry A. 103 7900.
• Goumri, A., Rocha, J., Laakso, D., Smith , C.E., Marshall, P. (1999). Characterization of Reaction Pathways on the Potential Energy Surfaces for H + SO2 and HS + O2. Journal of Physical Chemistry A. 103 11328.
• Peng, J., Hu, X., Marshall, P. (1999). Experimental and Ab Initio Investigations of the Kinetics of the Reaction H + H2S. Journal of Physical Chemistry A. 103 5307.
• Goumri, A., Rocha, J., Misra , A., Marshall, P. (1999). The Gas-Phase Kinetics of the Reactions of Alkali Metal Atoms with Nitric Oxide. Journal of Physical Chemistry A. 103 9252.
• Marshall, P. (1999). The Thermochemistry of the Ethyl Radical and the C-H Bond Strength in Ethane. Journal of Physical Chemistry A. 103 4560.
• Berry , R.J., Marshall, P. (1998). A Computational Study of the Reaction Kinetics of Methyl Radicals with Trifluorohalomethanes. International Journal of Chemical Kinetics. 30 179.
• Misra , A., Marshall, P. (1998). Computational Investigations of Iodine Oxides. Journal of Physical Chemistry A. 102 9056.
• Schwartz, M., Marshall, P., Berry, R.J., Ehlers , C.J., Petersson, G.A. (1998). Computational Study of the Kinetics of Hydrogen Abstraction from Fluoromethanes by the Hydroxyl Radical. Journal of Physical Chemistry A. 102 10074.
• Berry, R.J., Yuan, J., Misra , A., Marshall, P. (1998). Experimental and Computational Investigations of the Reaction of OH with CF3I and the Enthalpy of Formation of HOI. Journal of Physical Chemistry A. 102 5182.
• Truett, L., Thermann, H., Trees, D., Seshadri, K., Yuan, J., Wells , L., Marshall, P. (1998). Inhibition of Non-Premixed Flames by CF3Br. 27 2741. Proc. Combust. Inst.
• Yuan, J., Wells , L., Marshall, P. (1998). Kinetic Studies of the Reaction of Atomic Hydrogen with Trifluoroiodomethane. Chemical Physics Letters. 297 553.
• Marshall, P., Schwartz, M. (1997). A Computational Study of C-H Bond Strengths in Polyfluoroalkanes. Journal of Physical Chemistry A. 101 2906.
• Berry, R.J., Ehlers, C.J., Burgess, Jr., D.R., Zachariah , M.R., Marshall, P. (1997). A Computational Study of the Reactions of Atomic Hydrogen with Fluoromethanes: Kinetics and Product Channels. Chemical Physics Letters. 269 107.
• Misra , A., Marshall, P. (1997). Computational Studies of the Isomers of ClIO and ClIO2: Implications for the Stratospheric Chemistry of Iodine. The Journal of the Chemical Society, Faraday Transactions. 93 3301.
• Marshall, P., Misra , A., Berry, R.J. (1997). Computational Studies of the Reactions of CH3I with H and OH. Chemical Physics Letters. 265 48.
• Yuan, J., Wells , L., Marshall, P. (1997). Kinetic Studies of the Reactions of Atomic Hydrogen with Iodoalkanes. Journal of Physical Chemistry A. 101 3542.
• Misra, A., Berry , R.J., Marshall, P. (1997). Potential Energy Surfaces for the Reaction of O-atoms with CH3I: Implications for Thermochemistry and Kinetics. Journal of Physical Chemistry A. 101 7420.
• Taylor, P.H., Rahman, M.S., Arif, A., Dellinger , B., Marshall, P. (1996). Kinetic and Mechanistic Studies of the Reaction of Hydroxyl radicals with Acetaldehyde over an Extended Temperature Range. Proceedings of the Combustion Institute. 26 497.
• Belyung, D.P., Hranisavljevic, J., Kashireninov, O.E., Santana, G.M., Fontijn, A., Marshall, P. (1996). Laser-Induced Fluorescence and Mass-Spectrometric Studies of the Cu + HCl Reaction over a Wide Temperature Range. Formation of HCuCl. Journal of Physical Chemistry. 100 17835.
• Kim, Y.D., Jin, J.Y., Matteson, S., Weathers, D.L., Anthony, J.M., Marshall, P., McDaniel, F.D. (1995). Collision-Induced Interaction Cross Sections of 1-7 MeV B2 Ions Incident on an N2 Gas Target. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 99 82.
• Goumri, A., Laakso, D., Rocha, J.R., Smith , C.E., Marshall, P. (1995). Computational Studies of the Potential Energy Surface for O(3P) + H2S: Characterization of Transition States and the Enthalpy of Formation of HSO and HOS. Journal of Chemical Physics. 102 161.
• Goumri, A., Rocha , J.R., Marshall, P. (1995). The Kinetics of the Recombination Reaction SH + O2 + Ar: Implications for the Formation and Loss of HSOO and SOO in the Atmosphere. Journal of Physical Chemistry. 99 10834.
• Bott, S.G., Marshall, P., Wagenseller, P.E., Yang , Y., Conlin, R.T. (1995). The Positions of ?max for some Trimethylsilyl-Substituted Silylenes. Journal of Organometallic Chemistry. 499 11.
• Conlin, R.T., Laakso, D., Marshall, P. (1994). An Investigation of Donor-Acceptor Bonding between Amines and Silylenes. Organometallics Journals. 13 838.
• Goumri, A., Rocha, J.R., Laakso, D., Smith , C.E., Marshall, P. (1994). Computational Studies of the Potential Energy Surface for O(1D) + H2S: Characterization of Pathways Involving H2SO, HOSH and H2OS. Journal of Chemical Physics. 101 9405.
• Misra, A., Ding, L., Marshall, P., Buchta, C., Stucken, D., Vollmer , J., Wagner, H.G. (1994). Investigations of the Reaction of Trimethylsilane with O(3P) Atoms. Journal of Physical Chemistry. 98 4020.
• Kalinovski, I.J., Gutman, D., Krasnoperov, L.N., Goumri, A., Yuan , W., Marshall, P. (1994). Kinetics and Thermochemistry of the Reaction Si(CH3)3 + HBr = Si(CH3)3H + Br: Determination of the (CH3)3Si-H Bond Energy. Journal of Physical Chemistry. 98 9551.
• Marshall, P. (1994). Theoretical Studies of Reactions of Silanes. Journal of Molecular Structure: THEOCHEM. 313 19.
• Laakso, D., Smith, C.E., Goumri, A., Rocha , J.R., Marshall, P. (1994). Theoretical Studies of the RSOO, ROSO, RSO2 and HOOS (R = H, CH3) Radicals. Chemical Physics Letters. 227 377.
• Stanton, C.L., Marshall, P., Schwartz, M. (1993). A Computational Investigation of the Molecular Geometry and Rotational Barriers in Ethylmethyl Ether. Journal of Molecular Structure: THEOCHEM. 288 215.
• Taylor , C.A., Marshall, P. (1993). A Discharge-Flow/Chemiluminescence Study of the Reaction O + Si2H6 at Room Temperature. Chemical Physics Letters. 205 493.
• Marshall, P. (1993). A Theoretical Study of Nitrososilane and Six Isomers of SiH3NO. Chemical Physics Letters. 201 493.
• Goumri, A., Laakso, D., Rocha, J.R., Francis , E., Marshall, P. (1993). An Investigation of the Gas-Phase Kinetics of the Reaction K + SO2 + Ar. Journal of Physical Chemistry. 97 5295.
• Goumri, A., Yuan, W., Ding , L., Marshall, P. (1993). An Investigation of the Gas-Phase Reaction of Atomic Bromine with Disilane: Implications for the Si2H5-H Bond Strength. Chemical Physics Letters. 204 296.
• Goumri, A., Yuan , W., Marshall, P. (1993). An Investigation of the Gas-Phase Reaction of Trimethylsilyl Radicals with HBr: Measurement of the (CH3)3Si-H Bond Strength. Journal of American Chemical Society. 115 2539.
• Taylor, C.A., Ding , L., Marshall, P. (1993). Discharge-Flow/Chemiluminescence and Flash-Photolysis/Resonance Fluorescence Studies of the Reaction O + SiH4 at Room Temperature. International Journal of Chemical Kinetics. 25 183.
• Goumri, A., Yuan, W.J., Ding, L., Shi , Y., Marshall, P. (1993). Experimental and Theoretical Studies of the Reaction of Atomic Hydrogen with Silane. Chemical Physics. 177 233.
• Ding , L., Marshall, P. (1993). Experimental and Theoretical Studies of the Reaction of Atomic Oxygen with Silane. Journal of Chemical Physics. 98 8545.
• Belyung, D.P., Fontijn , A., Marshall, P. (1993). Gas-Phase Reactions between Hydrocarbons and Metal Oxides. The AlO + CH4 Reaction from 590 to 1380 K. Journal of Physical Chemistry. 97 3456.
• Ding , L., Marshall, P. (1993). Kinetic Studies of the Reactions of Atomic Bromine with Methylsilane and Dimethylsilane and Ab Initio Investigations. The Journal of the Chemical Society, Faraday Transactions. 89 419.
• Ding , L., Marshall, P. (1993). The Kinetics of the Reaction of Atomic Oxygen with Tetramethylsilane. Journal of Physical Chemistry. 97 3758.
• Laakso , D., Marshall, P. (1992). An Ab Initio Study of Sulfinic Acid and Related Species. Journal of Physical Chemistry. 96 2471.
• Ding , L., Marshall, P. (1992). Does Alkyl Substitution Affect the Si-H Bond Strength in Silane? Kinetic Studies of the Reactions of Atomic Chlorine and Bromine with Trimethylsilane and an Ab Initio Investigation. Journal of American Chemical Society. 114 5754.
• Ding , L., Marshall, P. (1992). Kinetic Studies of the Reactions of Atomic Chlorine and Bromine with Silane. Journal of Physical Chemistry. 96 2197.
• Marshall, P. (1991). A Computational Study of Adducts between Atomic Chlorine and Carbon Dioxide, Carbonyl Sulfide and Carbon Disulfide. Journal of Molecular Structure: THEOCHEM. 236 309.
• Shi , Y., Marshall, P. (1991). A Kinetic Study of the Recombination Reaction Na + SO2 + Ar. Journal of Physical Chemistry. 95 1654.
• Marshall, P. (1991). An Ab Initio Study of the Ionization of Sodium Superoxide. Journal of Chemical Physics. 95 7773.
• Binns , D., Marshall, P. (1991). An Ab Initio Study of the Reaction of Atomic Hydrogen with Sulfur Dioxide. Journal of Chemical Physics. 95 4940.
• Marshall, P., Narayan , A.S., Fontijn, A. (1990). Kinetic and Thermochemical Studies of the Recombination Reaction Na + O2 + N2 from 590 to 1515 K by a Modified High-Temperature Photochemistry Technique. Journal of Physical Chemistry. 94 2998.
• Ko, T., Marshall, P., Fontijn, A. (1990). Rate Coefficients for the H + NH3 Reaction over a Wide Temperature Range. Journal of Physical Chemistry. 94 1401.
• Rogowski, D.F., Marshall, P., Fontijn, A. (1989). High Temperature Fast Flow Reactor Kinetics Studies: Al + Cl2 --> AlCl + Cl, Al + HCl --> AlCl + H, and AlCl + Cl2 --> AlCl2 + Cl. Journal of Physical Chemistry. 93 1118.
• Marshall, P., Ko , T., Fontijn, A. (1989). High Temperature Photochemistry (HTP) Studies of the Reactions of H(12S) and D(12S) with N2O. Journal of Physical Chemistry. 93 1922.
• Mahmud, K., Marshall, P., Fontijn, A. (1988). The Reaction of O(3P) Atoms with Ethane: an HTP Kinetics Study from 300 to 1270 K. Journal of Chemical Physics. 88 2393.
• Marshall, P., Fontijn, A. (1987). A High Temperature Photochemistry (HTP) Study of the D + ND3 Reaction. Journal of Physical Chemistry. 91 6297.
• Mahmud, K., Marshall, P., Fontijn, A. (1987). A High Temperature Photochemistry Kinetics Study of the Reaction of O(3P) Atoms with Ethylene from 290 to 1510 K. Journal of Physical Chemistry. 91 1568.
• Marshall, P. (1987). A Method for Analyzing Exponential Decays. Other. 11 219.
• Marshall, P., Fontijn , A., Melius, C. (1987). High Temperature Photochemistry and BAC MP4 Studies of the Reaction between Ground State H Atoms and N2O. Journal of Chemical Physics. 86 5540.
• Marshall, P., Fontijn, A. (1987). HTP Kinetics Studies of the Reaction of O(23PJ) Atoms with H2 and D2 over Wide Temperature Ranges. Journal of Chemical Physics. 87 6988.
• Husain, D., Lee , Y.H., Marshall, P. (1987). Temperature Dependence of the Absolute Third Order Rate Constant for the Reaction between K + O2 + N2 over the Range 680 1010 K Studied by Time Resolved Atomic Resona¬nce Absorption Spectroscopy. Combustion and Flame. 68 143.
• Marshall, P., Fontijn, A. (1986). An HTP Kinetics Study of the Reaction between Ground State H Atoms and NH3 from 500 to 1140 K. Journal of Chemical Physics. 85 2637.
• Husain , D., Marshall, P. (1986). Determination of Absolute Rate Data for the Reaction of Atomic Sodium, Na(32S2), with CH3F, CH3Cl, CH3Br, HCl and HBr as a Function of Temperature by Time Resolved Atomic Resonance Spectroscopy. International Journal of Chemical Kinetics. 18 83.
• Husain, D., Marshall, P., Plane, J. (1986). Rate Constant for the Reaction Na + O2 + N2 → NaO2 + N2 under Mesospheric Conditions. Other. 32 1.
• Husain , D., Marshall, P. (1985). Determination of Absolute Rate Data for the Reaction of Atomic Sodium, Na(32S2), with CF3Cl, CF2Cl2, CFCl3, CF3Br and SF6 as a Function of Temperature by Time Resolved Resonance Absorption Spectroscopy at λ = 589 nm [Na(32PJ)   Na(32S2)]. The Journal of the Chemical Society, Faraday Transactions. 2 (81) 613.
• Husain, D., Marshall, P., Plane, J. (1985). Determination of the Absolute Second Order Rate Constant for the Reaction Na + O3--> NaO + O2. Journal of the Chemical Society, Chemical Communications. 1216.
• Husain , D., Marshall, P. (1985). Kinetic Study of the Absolute Rate Constant for the Reaction between Na + N2O in the Temperature Range 349 917 K by Time Resolved Atomic Resonance Absorption Spectroscopy at λ = 589 nm [Na(32PJ)- Na(32S2)] Following Pulsed Irradiation. Combustion and Flame. 60 81.
• Husain, D., Marshall, P., Plane, J. (1985). Temperature Dependence of the Absolute Third Order Rate Constant for the Reaction between Na + O2 + N2 over the Range 571 1016 K Studied by Time Resolved Atomic Resonance Absorption Spectroscopy. The Journal of the Chemical Society, Faraday Transactions. 2 (81) 301.

Contracts, Grants and Sponsored Research

Fellowship

• Marshall, P., "Summer visitor (1.5 mo) at National Oceanic and Atmospheric Administration, Boulder lab," sponsored by NOAA, Federal, $12000 Funded. (2023 - 2023).
• Marshall, P., "Summer visitor (1 mo) at National Oceanic and Atmospheric Administration, Boulder lab," sponsored by NOAA, Federal, $8000 Funded. (2022 - 2022).
• Marshall, P., "Summer visitor (2 mo, virtually) at National Oceanographic and Atmospheric Administration, Boulder lab," sponsored by NOAA, Federal, $16000 Funded. (2021 - 2021).
• Marshall, P., "Summer visitor (2 mo, virtually) at National Oceanic and Atmospheric Administration, Boulder lab," sponsored by NOAA, Federal, $16000 Funded. (2020 - 2020).
• Marshall, P. (Principal), "Summer visitor (2 mo) at National Oceanic and Atmospheric Administration, Boulder lab," sponsored by NOAA, Federal, $16000 Funded. (2019 - 2019).
• Marshall, P., "Summer visitor (2.5 mo) at National Oceanic and Atmospheric Administration, Boulder lab," sponsored by NOAA, Federal, $20000 Funded. (2018 - 2018).
• Marshall, P., "Visiting Professor invited to work on combustion problems by Prof. Peter Glarborg," sponsored by Technical University of Denmark, International, $15000 Funded. (2016 - 2016).
• Marshall, P., "Summer visitor (2 mo, virtually) at National Oceanographic and Atmospheric Administration, Boulder lab," sponsored by NOAA, Federal, Funded. (2020 - 2020).
• Marshall, P. (Principal), "Summer visitor (2 mo) at National Oceanographic and Atmospheric Administration, Boulder lab," sponsored by NOAA, Federal, Funded. (2019 - 2019).

Grant - Research

• Marshall, P. (Principal), "Chemistry of Nitrogen Species (2023-2026)," sponsored by Department of Energy, Federal, $399699 Funded. (2023 - 2026).
• Marshall, P. (Principal), "Chemistry of Ammonia-based Fuels (2020-2023)," sponsored by Department of Energy, Federal, $315290 Funded. (2020 - 2023).
• Marshall, P. (Principal), "Measurements of Global Warming Potentials," sponsored by Air Liquide, Private, $17341 Funded. (2022 - 2023).
• Marshall, P. (Principal), "Measurements of Global Warming Potentials," sponsored by Air Liquide, Private, $14844 Funded. (2022 - 2022).
• Marshall, P. (Principal), "Measurements of Global Warming Potentials," sponsored by Air Liquide, Private, $13768 Funded. (2019 - 2020).
• Marshall, P. (Principal), Verbeck, G.F. (Co-Principal), "COS Seed grant," sponsored by College of Science, University of North Texas, $9000 Funded. (2019 - 2020).
• Marshall, P. (Principal), "Texas Research Initiative Program," sponsored by Texas Higher Education Coordinating Board, State, $33750 Funded. (2017 - 2020).
• Cundari, T.R. (Principal), Borden, W.T. (Co-Principal), Bagus, P.S. (Co-Principal), Marshall, P. (Co-Principal), Buongiorno Nardelli, M. (Co-Principal), Slaughter, L.M. (Supporting), "MRI: Acquisition of a Computer Cluster for the Computational Chemistry Program at the University of North Texas," sponsored by National Science Foundation, Federal, $400000 Funded. (2015 - 2018).
• Marshall, P. (Principal), "Kinetic and Product Studies of Complex-Forming Reactions in the Gas-Phase," sponsored by R.A. Welch Foundation, Private, $180000 Funded. (2013 - 2016).
• Marshall, P. (Principal), "Chemistry of ammonia-based fuels," sponsored by U.S. Department of Energy, FED, Funded. (2020 - 2023).
• Marshall, P. (Principal), "Determination of Global Warming Potentials," sponsored by American Air Liquide, Inc., IND, Funded. (2019 - 2020).
• Marshall, P. (Principal), "Measurements of Global Warming Potentials," sponsored by Air Liquide, Private, Funded. (2019 - 2020).
• Cundari, T.R. (Principal), Borden, W.T. (Co-Principal), Bagus, P. (Co-Principal), Marshall, P. (Co-Principal), Buongiorno Nardelli, M. (Co-Principal), Slaughter, L. (Supporting), "MRI: Acquisition of a Computer Cluster for the Computational Chemistry Program at the University of North Texas," sponsored by National Science Foundation, Federal, Funded. (2015 - 2018).
• Marshall, P. (Principal), "Kinetic and Product Studies of Complex-Forming Reactions in the Gas Phase," sponsored by Robert A. Welch Foundation, FOND, Funded. (2015 - 2016).