Unimolecular and Bimolecular Calculations for HN2

Detalhes bibliográficos
Autor(a) principal: Caridade, P. J. S. B.
Data de Publicação: 2005
Outros Autores: Rodrigues, S. P. J., Sousa, F., Varandas, A. J. C.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
DOI: 10.1021/jp045102g
Texto Completo: http://hdl.handle.net/10316/10335
https://doi.org/10.1021/jp045102g
Resumo: Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN2 system by focusing on the determination of bimolecular (N + NH and H + N2) and unimolecular (decomposition of HN2) rate constants as well as the relevant equilibrium constants.
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spelling Unimolecular and Bimolecular Calculations for HN2Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN2 system by focusing on the determination of bimolecular (N + NH and H + N2) and unimolecular (decomposition of HN2) rate constants as well as the relevant equilibrium constants.American Chemical Society2005-03-17info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10335http://hdl.handle.net/10316/10335https://doi.org/10.1021/jp045102gengThe Journal of Physical Chemistry A. 109:10 (2005) 2356-23631089-5639Caridade, P. J. S. B.Rodrigues, S. P. J.Sousa, F.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:RCAAP2020-02-18T12:36:50Zoai:estudogeral.uc.pt:10316/10335Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:13.739567Repositório 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 Unimolecular and Bimolecular Calculations for HN2
title Unimolecular and Bimolecular Calculations for HN2
spellingShingle Unimolecular and Bimolecular Calculations for HN2
Unimolecular and Bimolecular Calculations for HN2
Caridade, P. J. S. B.
Caridade, P. J. S. B.
title_short Unimolecular and Bimolecular Calculations for HN2
title_full Unimolecular and Bimolecular Calculations for HN2
title_fullStr Unimolecular and Bimolecular Calculations for HN2
Unimolecular and Bimolecular Calculations for HN2
title_full_unstemmed Unimolecular and Bimolecular Calculations for HN2
Unimolecular and Bimolecular Calculations for HN2
title_sort Unimolecular and Bimolecular Calculations for HN2
author Caridade, P. J. S. B.
author_facet Caridade, P. J. S. B.
Caridade, P. J. S. B.
Rodrigues, S. P. J.
Sousa, F.
Varandas, A. J. C.
Rodrigues, S. P. J.
Sousa, F.
Varandas, A. J. C.
author_role author
author2 Rodrigues, S. P. J.
Sousa, F.
Varandas, A. J. C.
author2_role author
author
author
dc.contributor.author.fl_str_mv Caridade, P. J. S. B.
Rodrigues, S. P. J.
Sousa, F.
Varandas, A. J. C.
description Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN2 system by focusing on the determination of bimolecular (N + NH and H + N2) and unimolecular (decomposition of HN2) rate constants as well as the relevant equilibrium constants.
publishDate 2005
dc.date.none.fl_str_mv 2005-03-17
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/10316/10335
http://hdl.handle.net/10316/10335
https://doi.org/10.1021/jp045102g
url http://hdl.handle.net/10316/10335
https://doi.org/10.1021/jp045102g
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv The Journal of Physical Chemistry A. 109:10 (2005) 2356-2363
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
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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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dc.identifier.doi.none.fl_str_mv 10.1021/jp045102g

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