Vibrational relaxation of highly excited HO2 in collisions with O2

Detalhes bibliográficos
Autor(a) principal: Varandas, A. J. C.
Data de Publicação: 2005
Outros Autores: Zhang, L.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10316/5110
https://doi.org/10.1021/jp803686j
Resumo: We investigate the relaxation of highly vibrationally excited HO2 in collisions with vibrationally cold O2. The calculations employ the quasiclassical trajectory method and a global double many-body expansion potential energy surface for HO4(2A). Both deactivation and activation processes are observed, with the rate constants being found to be strongly influenced by the donor internal energy content. It is also found that the title process may not be ignorable when modelling the ozone budget in the middle atmosphere.
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spelling Vibrational relaxation of highly excited HO2 in collisions with O2We investigate the relaxation of highly vibrationally excited HO2 in collisions with vibrationally cold O2. The calculations employ the quasiclassical trajectory method and a global double many-body expansion potential energy surface for HO4(2A). Both deactivation and activation processes are observed, with the rate constants being found to be strongly influenced by the donor internal energy content. It is also found that the title process may not be ignorable when modelling the ozone budget in the middle atmosphere.http://www.sciencedirect.com/science/article/B6TFN-4F60NH4-C/1/f1c401808edfc7e0a83201a53ad912d22005info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleaplication/PDFhttp://hdl.handle.net/10316/5110http://hdl.handle.net/10316/5110https://doi.org/10.1021/jp803686jengChemical Physics Letters. 402:4-6 (2005) 399-407Varandas, A. J. C.Zhang, L.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:RCAAP2022-05-25T01:31:31Zoai:estudogeral.uc.pt:10316/5110Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:13.941033Repositório 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 Vibrational relaxation of highly excited HO2 in collisions with O2
title Vibrational relaxation of highly excited HO2 in collisions with O2
spellingShingle Vibrational relaxation of highly excited HO2 in collisions with O2
Varandas, A. J. C.
title_short Vibrational relaxation of highly excited HO2 in collisions with O2
title_full Vibrational relaxation of highly excited HO2 in collisions with O2
title_fullStr Vibrational relaxation of highly excited HO2 in collisions with O2
title_full_unstemmed Vibrational relaxation of highly excited HO2 in collisions with O2
title_sort Vibrational relaxation of highly excited HO2 in collisions with O2
author Varandas, A. J. C.
author_facet Varandas, A. J. C.
Zhang, L.
author_role author
author2 Zhang, L.
author2_role author
dc.contributor.author.fl_str_mv Varandas, A. J. C.
Zhang, L.
description We investigate the relaxation of highly vibrationally excited HO2 in collisions with vibrationally cold O2. The calculations employ the quasiclassical trajectory method and a global double many-body expansion potential energy surface for HO4(2A). Both deactivation and activation processes are observed, with the rate constants being found to be strongly influenced by the donor internal energy content. It is also found that the title process may not be ignorable when modelling the ozone budget in the middle atmosphere.
publishDate 2005
dc.date.none.fl_str_mv 2005
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/10316/5110
http://hdl.handle.net/10316/5110
https://doi.org/10.1021/jp803686j
url http://hdl.handle.net/10316/5110
https://doi.org/10.1021/jp803686j
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Chemical Physics Letters. 402:4-6 (2005) 399-407
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv aplication/PDF
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
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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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