An important well studied atmospheric reaction, O (1D) + H2

Detalhes bibliográficos
Autor(a) principal: Rio, Carolina
Data de Publicação: 2010
Outros Autores: Brandão, J., Wang, Wenli
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10400.1/5373
Resumo: Among the chemical reactions in atmosphere, the reaction of an excited oxygen atom, O (View the MathML source), with ground state molecular hydrogen, H2 (View the MathML source), has been one of the most studied both experimentally and theoretically. To describe this reaction, various potential energy surfaces have been calibrated and their dynamics has been studied using quantum mechanical and quasiclassical trajectory methods. The theoretical results have shown to be in good agreement with experiment. The main uncertainties arise in the low temperature rate constants and in the isotopic branching ratio when reacting with HD.
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spelling An important well studied atmospheric reaction, O (1D) + H2Atmospheric reactionO (1 D) + H2Among the chemical reactions in atmosphere, the reaction of an excited oxygen atom, O (View the MathML source), with ground state molecular hydrogen, H2 (View the MathML source), has been one of the most studied both experimentally and theoretically. To describe this reaction, various potential energy surfaces have been calibrated and their dynamics has been studied using quantum mechanical and quasiclassical trajectory methods. The theoretical results have shown to be in good agreement with experiment. The main uncertainties arise in the low temperature rate constants and in the isotopic branching ratio when reacting with HD.ElsevierSapientiaRio, CarolinaBrandão, J.Wang, Wenli2014-10-20T09:47:09Z20102014-10-18T10:18:57Z2010-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10400.1/5373eng0065-3276AUT: CRI01087; WWA01535;http://dx.doi.org/10.1016/S0065-3276(07)00203-1info: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:RCAAP2024-11-29T10:26:07Zoai:sapientia.ualg.pt:10400.1/5373Portal AgregadorONGhttps://www.rcaap.pt/oai/openairemluisa.alvim@gmail.comopendoar:71602024-11-29T10:26:07Repositório 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 An important well studied atmospheric reaction, O (1D) + H2
title An important well studied atmospheric reaction, O (1D) + H2
spellingShingle An important well studied atmospheric reaction, O (1D) + H2
Rio, Carolina
Atmospheric reaction
O (1 D) + H2
title_short An important well studied atmospheric reaction, O (1D) + H2
title_full An important well studied atmospheric reaction, O (1D) + H2
title_fullStr An important well studied atmospheric reaction, O (1D) + H2
title_full_unstemmed An important well studied atmospheric reaction, O (1D) + H2
title_sort An important well studied atmospheric reaction, O (1D) + H2
author Rio, Carolina
author_facet Rio, Carolina
Brandão, J.
Wang, Wenli
author_role author
author2 Brandão, J.
Wang, Wenli
author2_role author
author
dc.contributor.none.fl_str_mv Sapientia
dc.contributor.author.fl_str_mv Rio, Carolina
Brandão, J.
Wang, Wenli
dc.subject.por.fl_str_mv Atmospheric reaction
O (1 D) + H2
topic Atmospheric reaction
O (1 D) + H2
description Among the chemical reactions in atmosphere, the reaction of an excited oxygen atom, O (View the MathML source), with ground state molecular hydrogen, H2 (View the MathML source), has been one of the most studied both experimentally and theoretically. To describe this reaction, various potential energy surfaces have been calibrated and their dynamics has been studied using quantum mechanical and quasiclassical trajectory methods. The theoretical results have shown to be in good agreement with experiment. The main uncertainties arise in the low temperature rate constants and in the isotopic branching ratio when reacting with HD.
publishDate 2010
dc.date.none.fl_str_mv 2010
2010-01-01T00:00:00Z
2014-10-20T09:47:09Z
2014-10-18T10:18:57Z
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/10400.1/5373
url http://hdl.handle.net/10400.1/5373
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 0065-3276
AUT: CRI01087; WWA01535;
http://dx.doi.org/10.1016/S0065-3276(07)00203-1
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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 mluisa.alvim@gmail.com
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