Vibrational relaxation of highly excited HO2 in collisions with O2
Autor(a) principal: | |
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Data de Publicação: | 2005 |
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/10316/5110 https://doi.org/10.1021/jp803686j |
Resumo: | We investigate the relaxation of highly vibrationally excited HO2 in collisions with vibrationally cold O2. The calculations employ the quasiclassical trajectory method and a global double many-body expansion potential energy surface for HO4(2A). Both deactivation and activation processes are observed, with the rate constants being found to be strongly influenced by the donor internal energy content. It is also found that the title process may not be ignorable when modelling the ozone budget in the middle atmosphere. |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Vibrational relaxation of highly excited HO2 in collisions with O2We investigate the relaxation of highly vibrationally excited HO2 in collisions with vibrationally cold O2. The calculations employ the quasiclassical trajectory method and a global double many-body expansion potential energy surface for HO4(2A). Both deactivation and activation processes are observed, with the rate constants being found to be strongly influenced by the donor internal energy content. It is also found that the title process may not be ignorable when modelling the ozone budget in the middle atmosphere.http://www.sciencedirect.com/science/article/B6TFN-4F60NH4-C/1/f1c401808edfc7e0a83201a53ad912d22005info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleaplication/PDFhttp://hdl.handle.net/10316/5110http://hdl.handle.net/10316/5110https://doi.org/10.1021/jp803686jengChemical Physics Letters. 402:4-6 (2005) 399-407Varandas, A. J. C.Zhang, L.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:RCAAP2022-05-25T01:31:31Zoai:estudogeral.uc.pt:10316/5110Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:13.941033Repositório 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 relaxation of highly excited HO2 in collisions with O2 |
title |
Vibrational relaxation of highly excited HO2 in collisions with O2 |
spellingShingle |
Vibrational relaxation of highly excited HO2 in collisions with O2 Varandas, A. J. C. |
title_short |
Vibrational relaxation of highly excited HO2 in collisions with O2 |
title_full |
Vibrational relaxation of highly excited HO2 in collisions with O2 |
title_fullStr |
Vibrational relaxation of highly excited HO2 in collisions with O2 |
title_full_unstemmed |
Vibrational relaxation of highly excited HO2 in collisions with O2 |
title_sort |
Vibrational relaxation of highly excited HO2 in collisions with O2 |
author |
Varandas, A. J. C. |
author_facet |
Varandas, A. J. C. Zhang, L. |
author_role |
author |
author2 |
Zhang, L. |
author2_role |
author |
dc.contributor.author.fl_str_mv |
Varandas, A. J. C. Zhang, L. |
description |
We investigate the relaxation of highly vibrationally excited HO2 in collisions with vibrationally cold O2. The calculations employ the quasiclassical trajectory method and a global double many-body expansion potential energy surface for HO4(2A). Both deactivation and activation processes are observed, with the rate constants being found to be strongly influenced by the donor internal energy content. It is also found that the title process may not be ignorable when modelling the ozone budget in the middle atmosphere. |
publishDate |
2005 |
dc.date.none.fl_str_mv |
2005 |
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/10316/5110 http://hdl.handle.net/10316/5110 https://doi.org/10.1021/jp803686j |
url |
http://hdl.handle.net/10316/5110 https://doi.org/10.1021/jp803686j |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Chemical Physics Letters. 402:4-6 (2005) 399-407 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
aplication/PDF |
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 |
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1799133904752345088 |