Author(s):
Caridade, P. J. S. B. 
; Betancourt, M. ; Garrido, J. D. ; Varandas, A. J. C.
Date: 2001
Persistent ID: http://hdl.handle.net/10316/10451
Origin: Estudo Geral - Universidade de Coimbra
Document details
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation i...
Description
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
Document Type
Article
Language English
Language English
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