实体空间能量分解分析方法用于定性和定量解释

Yueyang Zhang1, Xuewei Xiong1, Wei Wu1

  • 1The State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005, China.

PubMed
概括

一种新的实体空间能量分解分析 (DM-EDA(RS)) 方法提供了一种统一的方式来理解分子相互作用. 它提供了对职能组之间的整体和次区域相互作用的详细见解.

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