Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory Study
Autor(a) principal: | |
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Data de Publicação: | 2013 |
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/10316/27268 https://doi.org/10.1016/j.cplett.2013.05.038 |
Resumo: | Rate coefficients for the N(2D)+N2 collisions were calculated employing quasiclassical trajectories and the first available set of potential energy surfaces for such excited nitrogen interactions. The details of the vibrational energy transfer are discussed, such as the contributions from reactive and non-reactive trajectories as well as the contribution of each electronic symmetry. The calculated state-to-state and state-to-all rate coefficients show that deactivation is far more probable than excitation, and multi-quanta deactivation play an important role. |
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Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory StudyRate coefficients for the N(2D)+N2 collisions were calculated employing quasiclassical trajectories and the first available set of potential energy surfaces for such excited nitrogen interactions. The details of the vibrational energy transfer are discussed, such as the contributions from reactive and non-reactive trajectories as well as the contribution of each electronic symmetry. The calculated state-to-state and state-to-all rate coefficients show that deactivation is far more probable than excitation, and multi-quanta deactivation play an important role.Elsevier2013-07-09info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/27268http://hdl.handle.net/10316/27268https://doi.org/10.1016/j.cplett.2013.05.038engGALVÃO, B. R. L. [et. al] - Vibrational energy transfer in N(2D)+N2 collisions: a quasiclassical trajectory study. "Chemical Physics Letters". ISSN 0009-2614. Vol. 577 (2013) p. 27-310009-2614http://www.sciencedirect.com/science/article/pii/S0009261413006738Galvão, B. R. L.Varandas, A. J. C.Braga, J. P.Belchior, 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:RCAAP2022-08-18T08:27:50Zoai:estudogeral.uc.pt:10316/27268Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:49.973241Repositório 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 |
Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory Study |
title |
Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory Study |
spellingShingle |
Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory Study Galvão, B. R. L. |
title_short |
Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory Study |
title_full |
Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory Study |
title_fullStr |
Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory Study |
title_full_unstemmed |
Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory Study |
title_sort |
Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory Study |
author |
Galvão, B. R. L. |
author_facet |
Galvão, B. R. L. Varandas, A. J. C. Braga, J. P. Belchior, J. C. |
author_role |
author |
author2 |
Varandas, A. J. C. Braga, J. P. Belchior, J. C. |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Galvão, B. R. L. Varandas, A. J. C. Braga, J. P. Belchior, J. C. |
description |
Rate coefficients for the N(2D)+N2 collisions were calculated employing quasiclassical trajectories and the first available set of potential energy surfaces for such excited nitrogen interactions. The details of the vibrational energy transfer are discussed, such as the contributions from reactive and non-reactive trajectories as well as the contribution of each electronic symmetry. The calculated state-to-state and state-to-all rate coefficients show that deactivation is far more probable than excitation, and multi-quanta deactivation play an important role. |
publishDate |
2013 |
dc.date.none.fl_str_mv |
2013-07-09 |
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/10316/27268 http://hdl.handle.net/10316/27268 https://doi.org/10.1016/j.cplett.2013.05.038 |
url |
http://hdl.handle.net/10316/27268 https://doi.org/10.1016/j.cplett.2013.05.038 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
GALVÃO, B. R. L. [et. al] - Vibrational energy transfer in N(2D)+N2 collisions: a quasiclassical trajectory study. "Chemical Physics Letters". ISSN 0009-2614. Vol. 577 (2013) p. 27-31 0009-2614 http://www.sciencedirect.com/science/article/pii/S0009261413006738 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
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 |
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