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

Detalhes bibliográficos
Autor(a) principal: Silveira, Dora M.
Data de Publicação: 2004
Outros Autores: Caridade, Pedro J. S. B., Varandas, António J. C.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10316/10405
https://doi.org/10.1021/jp049575z
Resumo: 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.
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spelling Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational ExcitationWe 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.American Chemical Society2004-10-14info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10405http://hdl.handle.net/10316/10405https://doi.org/10.1021/jp049575zengThe Journal of Physical Chemistry A. 108:41 (2004) 8721-87301089-5639Silveira, Dora M.Caridade, Pedro J. S. B.Varandas, António J. C.info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2020-05-25T13:13:49Zoai:estudogeral.uc.pt:10316/10405Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:15.847113Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational Excitation
title Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational Excitation
spellingShingle Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational Excitation
Silveira, Dora M.
title_short Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational Excitation
title_full Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational Excitation
title_fullStr Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational Excitation
title_full_unstemmed Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational Excitation
title_sort Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational Excitation
author Silveira, Dora M.
author_facet Silveira, Dora M.
Caridade, Pedro J. S. B.
Varandas, António J. C.
author_role author
author2 Caridade, Pedro J. S. B.
Varandas, António J. C.
author2_role author
author
dc.contributor.author.fl_str_mv 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(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.
publishDate 2004
dc.date.none.fl_str_mv 2004-10-14
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10316/10405
http://hdl.handle.net/10316/10405
https://doi.org/10.1021/jp049575z
url http://hdl.handle.net/10316/10405
https://doi.org/10.1021/jp049575z
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv The Journal of Physical Chemistry A. 108:41 (2004) 8721-8730
1089-5639
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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