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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 2012-01-02
  • 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.

  • [来源:中国聚合物网]
  • 了解更多请进入: 李志儒教授个人网站
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