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静电势（electrostatic potential , esp）是波函数分析里十分重要的概念，对于讨论静电相互作用极为关键。平均局部离子化能（average local ionization energy , alie）在一. [波函数分析求助] 用ailie和esp结合怎么分析esipt体系 [复制链接 copy url] 使用multiwfn通过局部电子附着能 (leae)考察亲核反应位点、难易及弱相互作用using multiwfn to investigate preferential site and difficulty of nucleophilic reactions a.,计算化.
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