Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 1998 |
| 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/10316/10324 https://doi.org/10.1021/jp9814956 |
Resumo: | We report a detailed dynamics and kinetics study of the title reaction over the range of translational energies 0.418 ≤ Etr/kJ mol-1 ≤ 62.760 by employing the quasiclassical trajectory method and a recently reported double many-body expansion potential energy surface for ground-state HO3. A comparison of the calculated thermal rate constants with the available experimental results is also presented. |
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Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2We report a detailed dynamics and kinetics study of the title reaction over the range of translational energies 0.418 ≤ Etr/kJ mol-1 ≤ 62.760 by employing the quasiclassical trajectory method and a recently reported double many-body expansion potential energy surface for ground-state HO3. A comparison of the calculated thermal rate constants with the available experimental results is also presented.American Chemical Society1998-08-27info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10324http://hdl.handle.net/10316/10324https://doi.org/10.1021/jp9814956engThe Journal of Physical Chemistry A. 102:35 (1998) 6935-69411089-5639Wang, W.González-Jonte, R.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:RCAAP2020-05-25T13:13:18Zoai:estudogeral.uc.pt:10316/10324Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:12.538606Repositório 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 |
Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2 |
| title |
Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2 |
| spellingShingle |
Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2 Wang, W. |
| title_short |
Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2 |
| title_full |
Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2 |
| title_fullStr |
Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2 |
| title_full_unstemmed |
Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2 |
| title_sort |
Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2 |
| author |
Wang, W. |
| author_facet |
Wang, W. González-Jonte, R. Varandas, A. J. C. |
| author_role |
author |
| author2 |
González-Jonte, R. Varandas, A. J. C. |
| author2_role |
author author |
| dc.contributor.author.fl_str_mv |
Wang, W. González-Jonte, R. Varandas, A. J. C. |
| description |
We report a detailed dynamics and kinetics study of the title reaction over the range of translational energies 0.418 ≤ Etr/kJ mol-1 ≤ 62.760 by employing the quasiclassical trajectory method and a recently reported double many-body expansion potential energy surface for ground-state HO3. A comparison of the calculated thermal rate constants with the available experimental results is also presented. |
| publishDate |
1998 |
| dc.date.none.fl_str_mv |
1998-08-27 |
| 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/10316/10324 http://hdl.handle.net/10316/10324 https://doi.org/10.1021/jp9814956 |
| url |
http://hdl.handle.net/10316/10324 https://doi.org/10.1021/jp9814956 |
| dc.language.iso.fl_str_mv |
eng |
| language |
eng |
| dc.relation.none.fl_str_mv |
The Journal of Physical Chemistry A. 102:35 (1998) 6935-6941 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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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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