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The inter-ring r/(p/p) covalent interactions of cyclodimes of benzenes
来源:李志儒教授个人网站 发布日期:2012-01-02
作者:Yin-Feng Wang, Zhi-Ru Li,* Fang-Fang Wang and Chia-Chung Sun*
关键字:inter-ring
论文来源:期刊
发表时间:2008年

To study the inter-ring s/(p/p) covalent interactions between non-radical p-systems, five
structures of cyclodimers of benzene (C6H6)2 with all the real frequencies, i.e. o–p0-dibenzene (A),
the pentacyclic dimer (B), p–p0-dibenzene (C), syn–o,o0-dibenzene (D), and hexaprismane (E),
are obtained at the MP2/6-311G(d,p) level.

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