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LCAC-SW quantum scattering dynamic study on the ion-pair formation process
  • ISSN号:1001-604X
  • 期刊名称:《中国化学:英文版》
  • 时间:0
  • 分类:O657.3[理学—分析化学;理学—化学]
  • 作者机构:Institute of Theoretical Chemistry, Shandong University, Jinan, Shandong 250100, China Department of Chemical Engineering, Shandong Institute of Light Industry, China, China
  • 相关基金:Project supported by the National Natural Science Foundation of China (No.29673026);the Ph. Doctoral Foundation of the State Education Committee of China.
中文摘要:

LCAC-SW method has been extended to study the reaction dynamics for ion-pair formation processes. M+ X2→-M+ + 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 of collinear state-to-state probabilities for K+ I2→K+ + I2- ion-pair formation system have been obtained.

英文摘要:

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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期刊信息
  • 《中国化学:英文版》
  • 主管单位:
  • 主办单位:中国化学会
  • 主编:
  • 地址:上海市枫林路354号中科院上海有机化学研究所
  • 邮编:200032
  • 邮箱:
  • 电话:021-54925243
  • 国际标准刊号:ISSN:1001-604X
  • 国内统一刊号:ISSN:31-1547/O6
  • 邮发代号:4-646
  • 获奖情况:
  • 中国期刊方阵“双高”期刊
  • 国内外数据库收录:
  • 美国化学文摘(网络版),荷兰文摘与引文数据库,美国科学引文索引(扩展库),日本日本科学技术振兴机构数据库,英国英国皇家化学学会文摘
  • 被引量:175