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Transition-State Theory Based Modeling of the Dynamics of the O + ( 4S ) + CO 2 Reaction

✍ Scribed by Sawilowsky, Ellen F.; Klippenstein, Stephen J.

Book ID
126975389
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
119 KB
Volume
102
Category
Article
ISSN
1089-5639

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## Abstract We report variational transition‐state theory calculations for the OH + O~3~β†’ HO~2~ + O~2~ reaction based on the recently reported double many‐body expansion potential energy surface for ground‐state HO~4~ [Chem Phys Lett 2000, 331, 474]. The barrier height of 1.884 kcal mol^βˆ’1^ is comp