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Title: Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants
Authors: Caridade, P. J. S. B. 
Betancourt, M. 
Garrido, J. D. 
Varandas, A. J. C. 
Issue Date: 9-Aug-2001
Publisher: American Chemical Society
Citation: The Journal of Physical Chemistry A. 105:31 (2001) 7435-7440
Abstract: 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.
ISSN: 1089-5639
DOI: 10.1021/jp010291d
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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