Quasi-classical rate constants for the inelastic process O2(υi≫ 1) + O2 → O2(υf) + O2
Rate constants have been calculated using quasi-classical trajectories (QCT) for the vibrational relaxation of highly excited O2:O2(X3Σḡ, vi) + O2(X3Σḡ,0) → O2(X3Σḡ, vf) + O2(X3Σḡ) with 22 ≤vi≤28. The present full-dimensional QCT results agree very well with recent quantum reduced dimensionality cal...
| Autores: | , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2000 |
| País: | Argentina |
| Institución: | Consejo Nacional de Investigaciones Científicas y Técnicas |
| Repositorio: | CONICET Digital (CONICET) |
| Idioma: | inglés |
| OAI Identifier: | oai:ri.conicet.gov.ar:11336/71682 |
| Acceso en línea: | http://hdl.handle.net/11336/71682 |
| Access Level: | acceso abierto |
| Palabra clave: | Reaction Dynamics Vibrational Relaxation Gas Phase Reactions https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
| Sumario: | Rate constants have been calculated using quasi-classical trajectories (QCT) for the vibrational relaxation of highly excited O2:O2(X3Σḡ, vi) + O2(X3Σḡ,0) → O2(X3Σḡ, vf) + O2(X3Σḡ) with 22 ≤vi≤28. The present full-dimensional QCT results agree very well with recent quantum reduced dimensionality calculations, giving further support to the hypothesis that the observed experimental jump in depletion rates would be due partially to enhanced vibrational relaxation. © 2000 Taylor & Francis Group, LLC. |
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