Origin of Attraction and Directionality of the π/π Interaction:  Model Chemistry Calculations of Benzene Dimer Interaction

作者: Seiji Tsuzuki , Kazumasa Honda , Tadafumi Uchimaru , Masuhiro Mikami , Kazutoshi Tanabe

DOI: 10.1021/JA0105212

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摘要: … In this paper, we have analyzed the benzene dimer interaction by high-level ab initio … , dispersion, and charge-transfer interactions in attraction and directionality of the π/π interaction. …

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