Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2002 |
| 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/10316/10342 https://doi.org/10.1021/jp021595i |
Resumo: | We report a theoretical study of the title five-atom atmospheric reaction for vibrationally excited states of O2 over the range 18 ≤ v ≤ 27, and initial vibrational energies of HO2 over the range 36 ≤ Ev/kcalmol-1 ≤ 51. All calculations have employed the quasiclassical trajectory method and the realistic double many-body expansion potential energy surface recently reported for HO4(2A). The results indicate that it can be a potential source of ozone in the upper atmosphere. |
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Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally ExcitedWe report a theoretical study of the title five-atom atmospheric reaction for vibrationally excited states of O2 over the range 18 ≤ v ≤ 27, and initial vibrational energies of HO2 over the range 36 ≤ Ev/kcalmol-1 ≤ 51. All calculations have employed the quasiclassical trajectory method and the realistic double many-body expansion potential energy surface recently reported for HO4(2A). The results indicate that it can be a potential source of ozone in the upper atmosphere.American Chemical Society2002-12-12info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10342http://hdl.handle.net/10316/10342https://doi.org/10.1021/jp021595iengThe Journal of Physical Chemistry A. 106:49 (2002) 11911-119161089-5639Zhang, L.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:RCAAP2020-05-25T13:13:23Zoai:estudogeral.uc.pt:10316/10342Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:13.400451Repositório 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 |
Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited |
| title |
Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited |
| spellingShingle |
Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited Zhang, L. |
| title_short |
Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited |
| title_full |
Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited |
| title_fullStr |
Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited |
| title_full_unstemmed |
Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited |
| title_sort |
Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited |
| author |
Zhang, L. |
| author_facet |
Zhang, L. Varandas, A. J. C. |
| author_role |
author |
| author2 |
Varandas, A. J. C. |
| author2_role |
author |
| dc.contributor.author.fl_str_mv |
Zhang, L. Varandas, A. J. C. |
| description |
We report a theoretical study of the title five-atom atmospheric reaction for vibrationally excited states of O2 over the range 18 ≤ v ≤ 27, and initial vibrational energies of HO2 over the range 36 ≤ Ev/kcalmol-1 ≤ 51. All calculations have employed the quasiclassical trajectory method and the realistic double many-body expansion potential energy surface recently reported for HO4(2A). The results indicate that it can be a potential source of ozone in the upper atmosphere. |
| publishDate |
2002 |
| dc.date.none.fl_str_mv |
2002-12-12 |
| 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/10316/10342 http://hdl.handle.net/10316/10342 https://doi.org/10.1021/jp021595i |
| url |
http://hdl.handle.net/10316/10342 https://doi.org/10.1021/jp021595i |
| dc.language.iso.fl_str_mv |
eng |
| language |
eng |
| dc.relation.none.fl_str_mv |
The Journal of Physical Chemistry A. 106:49 (2002) 11911-11916 1089-5639 |
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info:eu-repo/semantics/openAccess |
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openAccess |
| dc.publisher.none.fl_str_mv |
American Chemical Society |
| publisher.none.fl_str_mv |
American Chemical Society |
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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 |
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RCAAP |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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