Autor(es):
Garrido, J. D. 
; Caridade, P. J. S. B. ; Varandas, A. J. C.
Data: 1999
Identificador Persistente: http://hdl.handle.net/10316/10448
Origem: Estudo Geral - Universidade de Coimbra
Detalhes do Documento
Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Fo...
Descrição
We report a theoretical study of the title four-atom atmospheric reaction for a range of translational energies 0.1 ≤ Etr/kcal mol-1 ≤ 40 and the range 13 ≤ v‘ ‘ ≤ 27 of vibrational quantum numbers of the oxygen molecule. All calculations have employed the quasiclassical trajectory method, and a realistic potential energy surface obtained by using the double many-body expansion (DMBE) method for ground-state HO3. http://dx.doi.org/10.1021/jp990756o
We report a theoretical study of the title four-atom atmospheric reaction for a range of translational energies 0.1 ≤ Etr/kcal mol-1 ≤ 40 and the range 13 ≤ v‘ ‘ ≤ 27 of vibrational quantum numbers of the oxygen molecule. All calculations have employed the quasiclassical trajectory method, and a realistic potential energy surface obtained by using the double many-body expansion (DMBE) method for ground-state HO3. http://dx.doi.org/10.1021/jp990756o
Tipo de Documento
Artigo
Idioma Inglês
Idioma Inglês
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