Author(s):
Garrido, J. D. 
; Caridade, P. J. S. B. ; Varandas, A. J. C.
Date: 1999
Persistent ID: http://hdl.handle.net/10316/10448
Origin: Estudo Geral - Universidade de Coimbra
Document details
Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Fo...
Description
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
Document Type
Article
Language English
Language English
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