Autor(es):
Wang, W. 
; González-Jonte, R. ; Varandas, A. J. C.
Data: 1998
Identificador Persistente: http://hdl.handle.net/10316/10324
Origem: Estudo Geral - Universidade de Coimbra
Detalhes do Documento
Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2
Descrição
We report a detailed dynamics and kinetics study of the title reaction over the range of translational energies 0.418 ≤ Etr/kJ mol-1 ≤ 62.760 by employing the quasiclassical trajectory method and a recently reported double many-body expansion potential energy surface for ground-state HO3. A comparison of the calculated thermal rate constants with the available experimental results is also presented. http://dx.doi.org/10.1021/jp9814956
We report a detailed dynamics and kinetics study of the title reaction over the range of translational energies 0.418 ≤ Etr/kJ mol-1 ≤ 62.760 by employing the quasiclassical trajectory method and a recently reported double many-body expansion potential energy surface for ground-state HO3. A comparison of the calculated thermal rate constants with the available experimental results is also presented. http://dx.doi.org/10.1021/jp9814956
Tipo de Documento
Artigo
Idioma Inglês
Idioma Inglês
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