The O((1)D) + H2 (X (1)Σ+, v, j) â OH(X (2)Π, v', j') + H((2)S) reaction at low collision energy: when a simple statistical description of the dynamics works.
Phys Chem Chem Phys
; 13(18): 8136-9, 2011 May 14.
Article
em En
| MEDLINE
| ID: mdl-21437306
ABSTRACT
In this communication, we highlight that statistical approaches for chemical reactions describe reasonably well the low energy dynamics of the title process. Consequently, such methods prove to be valuable to compute rate constants from low to room temperatures. Results are compared with experiment and recent precise quantum wave packet calculations [J. Phys. Chem. A, 2009, 113, 5285].
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Phys Chem Chem Phys
Assunto da revista:
BIOFISICA
/
QUIMICA
Ano de publicação:
2011
Tipo de documento:
Article
País de afiliação:
França