Mechanisms and Downloads

M.P. Burke, S.J. Klippenstein, "Ephemeral Collision Complexes Mediate Chemically Termolecular Transformations that Affect System Chemistry," Nature Chemistry 9 (2017) 1078-1082,

Rate constants for chemically termolecular reactions of H + O2 + R (for R = H, O, and OH): chem.inp


M.P. Burke, S.J. Klippenstein, L.B. Harding, "A Quantitative Explanation for the Apparent Anomalous Temperature Dependence of OH + HO2 = H2O + O2 through Multi-Scale Modeling," Proceedings of the Combustion Institute 34 (2013) 547-555,

Rate constants for selected HOx reactions from the H2O2 decomposition system: chem.inp


M.P. Burke, M. Chaos, Y. Ju, F.L. Dryer, S.J. Klippenstein, "Comprehensive H2/O2 Kinetic Model for High-Pressure Combustion," International Journal of Chemical Kinetics 44 (2012) 444-474,

H2/O2 Kinetic Model:

CHEMKIN: chem.inp tran.dat

CANTERA: chem.cti

Documentation: Preprint

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