Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces:  The Role of Vibrational Excitation

Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces:  The Role of Vibrational Excitation

We investigate the effect of vibrational excitation on the dynamics and kinetics of the atmospheric reaction O(3 P) + 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 c...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2004-10, Vol.108 (41), p.8721-8730
Hauptverfasser: Silveira, Dora M, Caridade, Pedro J. S. B, Varandas, António J. C
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container_issue 41
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container_title The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
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creator Silveira, Dora M
Caridade, Pedro J. S. B
Varandas, António J. C
description We investigate the effect of vibrational excitation on the dynamics and kinetics of the atmospheric reaction O(3 P) + 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.
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title Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces:  The Role of Vibrational Excitation
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