Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical

Detalhes bibliográficos
Autor(a) principal: Garrido, J. D.
Data de Publicação: 1999
Outros Autores: Caridade, P. J. S. B., Varandas, A. 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/10316/10448
https://doi.org/10.1021/jp990756o
Resumo: We report a theoretical study of the title four-atom atmospheric reaction for a range of translational energies 0.1 ≤ Etr/kcal mol-1 ≤ 40 and the range 13 ≤ v‘ ‘ ≤ 27 of vibrational quantum numbers of the oxygen molecule. All calculations have employed the quasiclassical trajectory method, and a realistic potential energy surface obtained by using the double many-body expansion (DMBE) method for ground-state HO3.
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spelling Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl RadicalWe report a theoretical study of the title four-atom atmospheric reaction for a range of translational energies 0.1 ≤ Etr/kcal mol-1 ≤ 40 and the range 13 ≤ v‘ ‘ ≤ 27 of vibrational quantum numbers of the oxygen molecule. All calculations have employed the quasiclassical trajectory method, and a realistic potential energy surface obtained by using the double many-body expansion (DMBE) method for ground-state HO3.American Chemical Society1999-06-24info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10448http://hdl.handle.net/10316/10448https://doi.org/10.1021/jp990756oengThe Journal of Physical Chemistry A. 103:25 (1999) 4815-48221089-5639Garrido, J. D.Caridade, P. J. S. B.Varandas, A. 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:RCAAP2020-05-25T13:15:19Zoai:estudogeral.uc.pt:10316/10448Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:29.010605Repositório 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 HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical
title Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical
spellingShingle Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical
Garrido, J. D.
title_short Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical
title_full Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical
title_fullStr Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical
title_full_unstemmed Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical
title_sort Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical
author Garrido, J. D.
author_facet Garrido, J. D.
Caridade, P. J. S. B.
Varandas, A. J. C.
author_role author
author2 Caridade, P. J. S. B.
Varandas, A. J. C.
author2_role author
author
dc.contributor.author.fl_str_mv Garrido, J. D.
Caridade, P. J. S. B.
Varandas, A. J. C.
description We report a theoretical study of the title four-atom atmospheric reaction for a range of translational energies 0.1 ≤ Etr/kcal mol-1 ≤ 40 and the range 13 ≤ v‘ ‘ ≤ 27 of vibrational quantum numbers of the oxygen molecule. All calculations have employed the quasiclassical trajectory method, and a realistic potential energy surface obtained by using the double many-body expansion (DMBE) method for ground-state HO3.
publishDate 1999
dc.date.none.fl_str_mv 1999-06-24
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/10316/10448
http://hdl.handle.net/10316/10448
https://doi.org/10.1021/jp990756o
url http://hdl.handle.net/10316/10448
https://doi.org/10.1021/jp990756o
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv The Journal of Physical Chemistry A. 103:25 (1999) 4815-4822
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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