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Título: | Quasi-classical trajectory study of the F+H2 (D2)→HF (DF)+H (D) reaction. Vibrationally state resolved integral and differential cross sections |
Autor: | Aoiz, F. Javier CSIC ORCID; Herrero, Víctor J. CSIC ORCID; Nogueira, M.M.; Sáez Rábanos, Vicente | Fecha de publicación: | 1993 | Editor: | Elsevier | Citación: | Chemical Physics Letters 204: 359- 368 (1993) | Resumen: | Integral and differential reaction cross sections resolved in the final vibrational states of the products have been calculated for the F+H2 (D2)→HF (DF)+H (D) reactions by the method of quasi-classical trajectories (QCT) on the DMBE-5SEC potential energy surface. The results are compared to experimental measurements and to recent quantum-mechanical calculations on a related potential surface. Forward peaks appearing selectively in the HF (ν′ = 3) and DF (ν′ = 4) center of mass angular distributions and attributed to a quantum-mechanical resonance are shown to be also present in the classical calculation. However, the QCT branching ratio to the different final vibrational states is found to be in contradiction with the experimental results. © 1993. | URI: | http://hdl.handle.net/10261/74626 | DOI: | 10.1016/0009-2614(93)90022-S | Identificadores: | doi: 10.1016/0009-2614(93)90022-S issn: 0009-2614 |
Aparece en las colecciones: | (CFMAC-IEM) Artículos |
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