| 离子对生成反应的LCAC-SW量子散射理论研究 |
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| 引用本文： | 马万勇,蔡政亭,冯大成,邓从豪.离子对生成反应的LCAC-SW量子散射理论研究[J].高等学校化学学报,1999,20(5):797-799. |
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| 作者姓名： | 马万勇 蔡政亭 冯大成 邓从豪 |
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| 作者单位： | 1. 山东大学理论化学研究所,济南,250100;山东轻工业学院化工系,济南,250100
2. 山东大学理论化学研究所,济南,250100 |
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| 基金项目： | 国家自然科学基金,高等学校博士点基金 |
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| 摘 要： | 离子对生成反应微观动力学的理论和实验研究有助于从本质上揭示气相、液相及上层空间大气化学反应机理．实验上已经发展到用激光－交叉分子束技术研究其态－态过程；理论上则主要是采用准经典轨迹法．由于这类反应是电子非绝热过程，涉及到共价态和离子态两个势能面及其耦...
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| 关 键 词： | 离子对生成 反应几率 LCAC-SW方法 |
The Quantum Scattering Study for Ion-pair Formation Reaction with LCAC-SW Method |
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| MA Wan-Yong,CAI Zheng-Ting,FENG Da-Cheng,DENG Cong-Hao.The Quantum Scattering Study for Ion-pair Formation Reaction with LCAC-SW Method[J].Chemical Research In Chinese Universities,1999,20(5):797-799. |
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| Authors: | MA Wan-Yong CAI Zheng-Ting FENG Da-Cheng DENG Cong-Hao |
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| Abstract: | LCAC SW method has been extended to study the reaction dynamics for ion pair formation processes. M+X 2M ++X - 2 reaction system involves two potential energy surfaces, i. e., the covalence state(M+X 2) and the ionic state(M ++X - 2) and their crossing effect. The working equations for calculating state to state probability have been derived based on the above two state model. The selected state reaction probabilities of collinear ion pair formation process M+I 2M ++I - 2(M=Na, K, Cs) on Aten Lanting Los two state potential energy surface have been calculated. The results show that the reaction probabilities are of resonance effect. |
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| Keywords: | Ion pair formation Reaction probabilities LCAC SW method |
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