Electronic Structure Calculations on the Microsolvated F-(H2O)2+CH3I Reaction

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：hanjzh

【摘要】

：

　　The potential energy profile of microhydrated fluorine ion reaction with methyl iodine has been characterized be extensive electricity structure calculation

【作者】

：

XuLiuLiYang;JiaxuZhang;

【机构】

：

School of Chemistry and Chemical Engineering,Harbin Institute of Technology,Harbin 150001

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年期

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　　The potential energy profile of microhydrated fluorine ion reaction with methyl iodine has been characterized be extensive electricity structure calculations.[1] F-SN2,OH-SN2,and proton transfer reaction channels for the reaction F-(H2O)2+CH3I were found with electricity structure calculations.

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Electronic Structure Calculations on the Microsolvated F-(H2O)2+CH3I Reaction

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