作者：Yin-Feng Wang, Zhi-Ru Li,* Fang-Fang Wang and Chia-Chung Sun*
關(guān)鍵字：inter-ring
論文來(lái)源：期刊
發(fā)表時(shí)間：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.