On the Rovibrational Partition Function of Molecular Hydrogen at High Temperatures

Detalhes bibliográficos
Autor(a) principal: Riganelli, Antonio
Data de Publicação: 2001
Outros Autores: Prudente, Frederico V., Varandas, António 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/10316/10411
https://doi.org/10.1021/jp011330o
Resumo: We report a comparative study of the vibrational and rovibrational partition functions using several quantum and classical statistical mechanics approaches. The calculations refer to H2, but the conclusions are anticipated to be valid also for larger systems.
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spelling On the Rovibrational Partition Function of Molecular Hydrogen at High TemperaturesWe report a comparative study of the vibrational and rovibrational partition functions using several quantum and classical statistical mechanics approaches. The calculations refer to H2, but the conclusions are anticipated to be valid also for larger systems.American Chemical Society2001-10-18info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10411http://hdl.handle.net/10316/10411https://doi.org/10.1021/jp011330oengThe Journal of Physical Chemistry A. 105:41 (2001) 9518-95211089-5639Riganelli, AntonioPrudente, Frederico V.Varandas, António 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:RCAAP2020-05-25T13:15:17Zoai:estudogeral.uc.pt:10316/10411Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:28.705921Repositório 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 On the Rovibrational Partition Function of Molecular Hydrogen at High Temperatures
title On the Rovibrational Partition Function of Molecular Hydrogen at High Temperatures
spellingShingle On the Rovibrational Partition Function of Molecular Hydrogen at High Temperatures
Riganelli, Antonio
title_short On the Rovibrational Partition Function of Molecular Hydrogen at High Temperatures
title_full On the Rovibrational Partition Function of Molecular Hydrogen at High Temperatures
title_fullStr On the Rovibrational Partition Function of Molecular Hydrogen at High Temperatures
title_full_unstemmed On the Rovibrational Partition Function of Molecular Hydrogen at High Temperatures
title_sort On the Rovibrational Partition Function of Molecular Hydrogen at High Temperatures
author Riganelli, Antonio
author_facet Riganelli, Antonio
Prudente, Frederico V.
Varandas, António J. C.
author_role author
author2 Prudente, Frederico V.
Varandas, António J. C.
author2_role author
author
dc.contributor.author.fl_str_mv Riganelli, Antonio
Prudente, Frederico V.
Varandas, António J. C.
description We report a comparative study of the vibrational and rovibrational partition functions using several quantum and classical statistical mechanics approaches. The calculations refer to H2, but the conclusions are anticipated to be valid also for larger systems.
publishDate 2001
dc.date.none.fl_str_mv 2001-10-18
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/10316/10411
http://hdl.handle.net/10316/10411
https://doi.org/10.1021/jp011330o
url http://hdl.handle.net/10316/10411
https://doi.org/10.1021/jp011330o
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv The Journal of Physical Chemistry A. 105:41 (2001) 9518-9521
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
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