Quantum and classical studies of the O(3P) + H2(v = 0-3,j = 0) --> OH + H reaction using benchmark potential surfaces.

Abstract

We present results of time-dependent quantum mechanics (TDQM) and quasiclassical trajectory (QCT) studies of the excitation function for O(3P) + H2(v = 0-3,j = 0) --> OH + H from threshold to 30 kcal/mol collision energy using benchmark potential energy surfaces [Rogers et al., J. Phys. Chem. A 104, 2308 (2000)]. For H2(v = 0) there is excellent agreement… (More)

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@article{Braunstein2004QuantumAC, title={Quantum and classical studies of the O(3P) + H2(v = 0-3,j = 0) --> OH + H reaction using benchmark potential surfaces.}, author={Matthew Braunstein and Steve M. Adler-Golden and Biswajit Maiti and George C. Schatz}, journal={The Journal of chemical physics}, year={2004}, volume={120 9}, pages={4316-23} }