Autor(es):
Caridade, P. J. S. B. 
; Betancourt, M. ; Garrido, J. D. ; Varandas, A. J. C.
Data: 2001
Identificador Persistente: http://hdl.handle.net/10316/10451
Origem: Estudo Geral - Universidade de Coimbra
Detalhes do Documento
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation i...
Descrição
We discuss the dissociation of the OH radical in the title molecular collisions when both species are vibrationally excited. An analysis of the O2 dissociation is also reported. All calculations employed the quasiclassical trajectory method and a realistic double many-body expansion (DMBE) potential energy surface for ground-state HO3. The results are compared with those referring to formation of HO2 and O3 under similar conditions. Possible implications on atmospheric models for ozone production are tentatively assessed. http://dx.doi.org/10.1021/jp010291d
We discuss the dissociation of the OH radical in the title molecular collisions when both species are vibrationally excited. An analysis of the O2 dissociation is also reported. All calculations employed the quasiclassical trajectory method and a realistic double many-body expansion (DMBE) potential energy surface for ground-state HO3. The results are compared with those referring to formation of HO2 and O3 under similar conditions. Possible implications on atmospheric models for ozone production are tentatively assessed. http://dx.doi.org/10.1021/jp010291d
Tipo de Documento
Artigo
Idioma Inglês
Idioma Inglês
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