Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants
Autor(a) principal: | |
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Data de Publicação: | 2001 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10316/10451 https://doi.org/10.1021/jp010291d |
Resumo: | We discuss the dissociation of the OH radical in the title molecular collisions when both species are vibrationally excited. An analysis of the O2 dissociation is also reported. All calculations employed the quasiclassical trajectory method and a realistic double many-body expansion (DMBE) potential energy surface for ground-state HO3. The results are compared with those referring to formation of HO2 and O3 under similar conditions. Possible implications on atmospheric models for ozone production are tentatively assessed. |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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7160 |
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Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited ReactantsWe discuss the dissociation of the OH radical in the title molecular collisions when both species are vibrationally excited. An analysis of the O2 dissociation is also reported. All calculations employed the quasiclassical trajectory method and a realistic double many-body expansion (DMBE) potential energy surface for ground-state HO3. The results are compared with those referring to formation of HO2 and O3 under similar conditions. Possible implications on atmospheric models for ozone production are tentatively assessed.American Chemical Society2001-08-09info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10451http://hdl.handle.net/10316/10451https://doi.org/10.1021/jp010291dengThe Journal of Physical Chemistry A. 105:31 (2001) 7435-74401089-5639Caridade, P. J. S. B.Betancourt, M.Garrido, J. D.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:RCAAP2020-05-25T13:15:40Zoai:estudogeral.uc.pt:10316/10451Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:30.065576Repositório 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 OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants |
title |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants |
spellingShingle |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants Caridade, P. J. S. B. |
title_short |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants |
title_full |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants |
title_fullStr |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants |
title_full_unstemmed |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants |
title_sort |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants |
author |
Caridade, P. J. S. B. |
author_facet |
Caridade, P. J. S. B. Betancourt, M. Garrido, J. D. Varandas, A. J. C. |
author_role |
author |
author2 |
Betancourt, M. Garrido, J. D. Varandas, A. J. C. |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Caridade, P. J. S. B. Betancourt, M. Garrido, J. D. Varandas, A. J. C. |
description |
We discuss the dissociation of the OH radical in the title molecular collisions when both species are vibrationally excited. An analysis of the O2 dissociation is also reported. All calculations employed the quasiclassical trajectory method and a realistic double many-body expansion (DMBE) potential energy surface for ground-state HO3. The results are compared with those referring to formation of HO2 and O3 under similar conditions. Possible implications on atmospheric models for ozone production are tentatively assessed. |
publishDate |
2001 |
dc.date.none.fl_str_mv |
2001-08-09 |
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/10316/10451 http://hdl.handle.net/10316/10451 https://doi.org/10.1021/jp010291d |
url |
http://hdl.handle.net/10316/10451 https://doi.org/10.1021/jp010291d |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
The Journal of Physical Chemistry A. 105:31 (2001) 7435-7440 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 |
repository.mail.fl_str_mv |
|
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1799133906366103552 |