Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/10405
Title: Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational Excitation
Authors: Silveira, Dora M. 
Caridade, Pedro J. S. B. 
Varandas, António J. C. 
Issue Date: 14-Oct-2004
Publisher: American Chemical Society
Citation: The Journal of Physical Chemistry A. 108:41 (2004) 8721-8730
Abstract: We investigate the effect of vibrational excitation on the dynamics and kinetics of the atmospheric reaction O(3P) + HO2 → OH + O2 using two double many-body expansion potential energy surfaces previously reported. The results show that such an effect is relatively minor even considering HO2 with contents of vibrational excitation close to the H + O2 dissociation asymptote. It should therefore not bear drastic implications in atmospheric modeling where such an effect has been ignored thus far.
URI: http://hdl.handle.net/10316/10405
ISSN: 1089-5639
DOI: 10.1021/jp049575z
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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