Collision energy effects on the dynamics of the reaction O(3P) + CH4(X 1A1) --> OH(X2P) + CH3(X2A").
- Sayós, R. 2
- Hernando, J. 2
- Puyuelo, M.P. 1
- Enríquez, P.A. 1
- González, M. 2
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1
Universidad de La Rioja
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2
Universitat de Barcelona
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ISSN: 0009-2614
Year of publication: 2001
Volume: 341
Issue: 5
Pages: 608-618
Type: Article
beta Ver similares en nube de resultadosMore publications in: Chemical Physics Letters
Abstract
A study of the collision energy effects on the dynamics of the title reaction was performed using the quasi-classical trajectories (QCT) method and an analytical triatomic potential energy surface recently derived by our group. Scalar and two-vector properties of the reaction were analysed in terms of the collision energy. The results obtained can be rationalised in terms of the coexistence of reactive trajectories with rebound and non-rebound features, both corresponding to an abstraction reaction mechanism. Future work should account for both the full dimensionality of the system and the possibility of quantum effects. © 2001 Elsevier Science B.V.