Author(s):
Wang, W. 
; González-Jonte, R. ; Varandas, A. J. C.
Date: 1998
Persistent ID: http://hdl.handle.net/10316/10324
Origin: Estudo Geral - Universidade de Coimbra
Document details
Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2
Description
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
Document Type
Article
Language English
Language English
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