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Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches.

作者信息

Poater Jordi, Duran Miquel, Solà Miquel, Silvi Bernard

机构信息

Institut de Química Computacional and Departament de Química, Universitat de Girona, 17071 Girona, Catalonia, Spain.

出版信息

Chem Rev. 2005 Oct;105(10):3911-47. doi: 10.1021/cr030085x.

DOI:10.1021/cr030085x
PMID:16218571
Abstract
摘要

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Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches.利用分子中的原子（AIM）和电子定域函数（ELF）拓扑方法对芳香族分子中电子离域的理论评估。
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