LCAC-SW quantum scattering dynamic study on the ion-pair formation process |
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| Authors: | MA Wan-Yong FENG Da-Cheng CAI Zheng-Ting DENG Cong-HaoInstitute of Theoretical Chemistry Shandong University Jinan Shandong China |
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| Affiliation: | MA,Wan-Yong FENG,Da-Cheng CAI,Zheng-Ting DENG,Cong-HaoInstitute of Theoretical Chemistry,Shandong University,Jinan,Shandong 250100,China Department of Chemical Engineering,Shandong Institute of Light Industry,Jinan,Shandong 250100,China |
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| Abstract: | LCAC-SW method has been extended to study the reaction dynamics for ion-pair formation processes. M+ X2→Mt + X2 reaction system involves two potential energy surfaces, i.e., the covalence state (M + X2) and the ionic state (M + X2) and their crossing effect. The working equations for calculating state-to-state probability have been derived based on the above two-state model, Satisfied results d collinear state-to-state probabilities for K+ I2 → K+ + I2 ion-pair formation system have been obtained. |
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| Keywords: | Reaction probability quantum scattering LCAC-SW method. |
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