Exponentiating trajectories on a realistic potentil energy surface for sodium trimera
Autor(a) principal: | |
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Data de Publicação: | 1992 |
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/10316/10303 https://doi.org/10.1021/j100193a010 |
Resumo: | a realistic potential energy surface previously reported by the authors. It is shown that the trajectories are exponentially diverging even for very low energies close to the bottom of the potential well. This fact is confinned by the calculated maximum Lyapunov characteristic numbers, which suggest that the Na3 molecule possesses a small vibrational relaxation time. This result corroborates previous findings on atom-diatom reactive scattering for analogous systems, which have indicated a high degree of statistical behavior in the dynamics of these reactions. |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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7160 |
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Exponentiating trajectories on a realistic potentil energy surface for sodium trimeraa realistic potential energy surface previously reported by the authors. It is shown that the trajectories are exponentially diverging even for very low energies close to the bottom of the potential well. This fact is confinned by the calculated maximum Lyapunov characteristic numbers, which suggest that the Na3 molecule possesses a small vibrational relaxation time. This result corroborates previous findings on atom-diatom reactive scattering for analogous systems, which have indicated a high degree of statistical behavior in the dynamics of these reactions.American Chemical Society1992-07info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10303http://hdl.handle.net/10316/10303https://doi.org/10.1021/j100193a010engThe Journal of Physical Chemistry. 96:14 (1992) 5704-5709Morais, V. M. 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:RCAAP2020-05-25T13:13:15Zoai:estudogeral.uc.pt:10316/10303Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:12.149747Repositório 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 |
Exponentiating trajectories on a realistic potentil energy surface for sodium trimera |
title |
Exponentiating trajectories on a realistic potentil energy surface for sodium trimera |
spellingShingle |
Exponentiating trajectories on a realistic potentil energy surface for sodium trimera Morais, V. M. F. |
title_short |
Exponentiating trajectories on a realistic potentil energy surface for sodium trimera |
title_full |
Exponentiating trajectories on a realistic potentil energy surface for sodium trimera |
title_fullStr |
Exponentiating trajectories on a realistic potentil energy surface for sodium trimera |
title_full_unstemmed |
Exponentiating trajectories on a realistic potentil energy surface for sodium trimera |
title_sort |
Exponentiating trajectories on a realistic potentil energy surface for sodium trimera |
author |
Morais, V. M. F. |
author_facet |
Morais, V. M. F. Varandas, A. J. C. |
author_role |
author |
author2 |
Varandas, A. J. C. |
author2_role |
author |
dc.contributor.author.fl_str_mv |
Morais, V. M. F. Varandas, A. J. C. |
description |
a realistic potential energy surface previously reported by the authors. It is shown that the trajectories are exponentially diverging even for very low energies close to the bottom of the potential well. This fact is confinned by the calculated maximum Lyapunov characteristic numbers, which suggest that the Na3 molecule possesses a small vibrational relaxation time. This result corroborates previous findings on atom-diatom reactive scattering for analogous systems, which have indicated a high degree of statistical behavior in the dynamics of these reactions. |
publishDate |
1992 |
dc.date.none.fl_str_mv |
1992-07 |
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/10316/10303 http://hdl.handle.net/10316/10303 https://doi.org/10.1021/j100193a010 |
url |
http://hdl.handle.net/10316/10303 https://doi.org/10.1021/j100193a010 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
The Journal of Physical Chemistry. 96:14 (1992) 5704-5709 |
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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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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1799133904342351872 |