| Quantum mechanical reaction dynamics in collisions of chlorine atom with hydrogen molecule |
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| 引用本文： | Meishan ZHAO The James Franck Institute,the University of Chicago,Chicago,Illinois 60637,U.S.A.. Quantum mechanical reaction dynamics in collisions of chlorine atom with hydrogen molecule[J]. 中国化学, 1994, 12(3): 213-222. DOI: 10.1002/cjoc.19940120304 |
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| 作者姓名： | Meishan ZHAO The James Franck Institute the University of Chicago Chicago Illinois 60637 U.S.A. |
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| 作者单位： | Meishan ZHAO The James Franck Institute，the University of Chicago，Chicago，Illinois 60637，U.S.A. |
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| 摘 要： | We report the accurate determinations of quantum mechanical state-to-state probabilities tor reactions Cl H2 - HCl H and H' HCl - H'Cl H by the generalized Newton variational principle, on the most accurate available potential energy surface. We compare the results for three versions of realistic potential energy surfaces, and to those from hyperspherical close-coupling calculations.
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Quantum mechanical reaction dynamics in collisions of chlorine atom with hydrogen molecule |
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| Meishan ZHAO The James Franck Institute,the University of Chicago,Chicago,Illinois ,U.S.A.. Quantum mechanical reaction dynamics in collisions of chlorine atom with hydrogen molecule[J]. Chinese Journal of Chemistry, 1994, 12(3): 213-222. DOI: 10.1002/cjoc.19940120304 |
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| Authors: | Meishan ZHAO The James Franck Institute the University of Chicago Chicago Illinois U.S.A. |
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| Affiliation: | Meishan ZHAO The James Franck Institute,the University of Chicago,Chicago,Illinois 60637,U.S.A. |
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| Abstract: | We report the accurate determinations of quantum mechanical state-to-state probabilities tor reactions Cl H2 - HCl H and H' HCl - H'Cl H by the generalized Newton variational principle, on the most accurate available potential energy surface. We compare the results for three versions of realistic potential energy surfaces, and to those from hyperspherical close-coupling calculations. |
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| Keywords: | Triatomic collision reactive scattering Green's function reactance matrix scattering matrix reactive transition probability. |
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