Doctor of Philosophy Physical Chemistry University of Cambridge 1985 Bachelor of Arts Natural Sciences University of Cambridge 1982

Physical Computational Chemistry

Fundamental details of bond formation and chemical kinetics are investigated using time-resolved laser spectroscopy and high-level ab initio computational chemistry. The results are combined to improve our understanding of atmospheric and combustion chemistry, and the properties of short-lived radicals and other transient species.

"Kinetic Studies of the Cl + HI Reaction using Three Techniques", J. Yuan, A. Misra, A. Goumri, D.D. Shao and P. Marshall, J. Phys. Chem. A, 108, 6857 (2004).

"Reaction Kinetics of the Addition of Atomic Sulfur to Nitric Oxide", A. Goumri, D.D. Shao and P. Marshall, J. Chem. Phys., 121, 9999 (2004).

"Mechanism and Modeling of the Formation of Gaseous Alkali Sulfates", P. Glarborg and P. Marshall, Combust. Flame, 141, 22 (2005).

"A Computational Study of the Thermochemistry of Bromine and Iodine-Containing Methanes and Methyl Radicals", P. Marshall, G.N. Srinivas and M. Schwartz, J. Phys. Chem. A, 109, 6371 (2005).

"Modified Transition State Theory and Negative Apparent Activation Energies of Simple Metathesis Reactions: Application to the Reaction CH3 + HBr → CH4 + Br", L.N. Krasnoperov, J. Peng and P. Marshall, J. Phys. Chem. A, 110, 3110 (2006).

"Kinetics and Thermochemistry of the Addition of Atomic Chlorine to Acetylene", Y. Gao, I.M. Alecu, P.-C. Hsieh, A. McLeod, C. McLeod, M. Jones and P. Marshall, Proc. Combust. Inst., 31, 193 (2007).

"Kinetic Studies of Chlorobenzene Reactions with Hydrogen Atoms and Phenyl Radicals and the Thermochemistry of 1-Chlorocyclohexadienyl Radicals", Y. Gao and P. Marshall, Proc. Combust. Inst., 32, 351 (2009).

"Kinetic and Modeling Studies of the Reaction S + H2S" Y. Gao, C. Zhou, K. Sendt, B.S. Haynes and P. Marshall, Proc. Combust. Inst., 33, 459 (2011).

"Inhibition of Hydrogen Oxidation by HBr and Br2" G. Dixon-Lewis, P. Marshall, B.Ruscic, A. Burcat, E. Goos, A. Cuoci, A. Frassoldati, T. Faravelli and P. Glarborg, Combust. Flame, 159, 528 (2012).