Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 2. Influence of Reactants Internal Energy in HO2 and O3 Formation

Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 2. Influence of Reactants Internal Energy in HO2 and O3 Formation

The effect of reactants vibrational and rotational excitation on products (HO2 + O and O3 + H) formation is investigated for the title reaction by using the quasiclassical trajectory method and the realistic double many-body expansion (DMBE) potential energy surface for ground-state HO3. It is shown...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2001-05, Vol.105 (18), p.4395-4402
Hauptverfasser: Caridade, P. J. S. B, Zhang, L, Garrido, J. D, Varandas, A. J. C
Format: Artikel
Sprache:eng
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Zusammenfassung:The effect of reactants vibrational and rotational excitation on products (HO2 + O and O3 + H) formation is investigated for the title reaction by using the quasiclassical trajectory method and the realistic double many-body expansion (DMBE) potential energy surface for ground-state HO3. It is shown that it can be a potential source of ozone in the upper atmosphere.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp004308o