| Influence of reagent vibration on the stereodynamics of the Li + HF → LiF + H reaction |
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| 引用本文： | 李淑娟,石英,解廷献,金明星.Influence of reagent vibration on the stereodynamics of the Li + HF → LiF + H reaction[J].中国物理 B,2012,21(1):13401-013401. |
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| 作者姓名： | 李淑娟 石英 解廷献 金明星 |
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| 基金项目： | Project supported by Jilin University, China (Grant No. 419080106440), the Chinese National Fusion Project for ITER (Grant No. 2010GB104003), and the National Natural Science Foundation of China (Grant No. 10974069). |
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| 摘 要： | We investigate the influence of reagent vibration on the stereodynamics of the title reaction by the quasi-classical trajectory on the Aguado-Paniagua2-potential energy surface developed by Aguado et al. (J. Chem. Phys. 1997 106 1013). The cross sections and reaction probability as functions of the reagent vibration are calculated in the centre-of-mass frame. The product angular distributions of p(θr), p(φr), and p(θr, φr), which reflect the vector correlation, are also presented and discussed. The results indicate that the vector properties are sensitively affected by the vibrational excitation.
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| 收稿时间： | 5/6/2011 12:00:00 AM |
Influence of reagent vibration on the stereodynamics of the Li + HF → LiF + H reaction |
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| Li Shu-Juan,Shi Ying,Xie Ting-Xian and Jin Ming-Xing.Influence of reagent vibration on the stereodynamics of the Li + HF → LiF + H reaction[J].Chinese Physics B,2012,21(1):13401-013401. |
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| Authors: | Li Shu-Juan Shi Ying Xie Ting-Xian and Jin Ming-Xing |
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| Affiliation: | Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;Department of Physics, Dalian Jiaotong University, Dalian 116028, China;Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China |
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| Abstract: | We investigate the influence of reagent vibration on the stereodynamics of the title reaction by the quasi-classical trajectory on the Aguado-Paniagua2-potential energy surface developed by Aguado et al. (J. Chem. Phys. 1997 106 1013). The cross sections and reaction probability as functions of the reagent vibration are calculated in the centre-of-mass frame. The product angular distributions of p(θr), p(φr), and p(θr, φr), which reflect the vector correlation, are also presented and discussed. The results indicate that the vector properties are sensitively affected by the vibrational excitation. |
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| Keywords: | quasi-classical trajectory vector correlation cross sections stereodynamics |
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