Chem. J. Chinese Universities ›› 1991, Vol. 12 ›› Issue (8): 1091.
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Hu Xu-guang, Li Qian-shu
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Abstract: In this paper quantum chemistry calculations on polyhedrones C2nH2n(n= 2,3,4,5 and 10) and their skeletons C2are made by INDO method and Edmiston-Ruedenberg localization method. Then their electronic structure, stability and the properties of chemical bonds for the molecules are compared and discussed.
Key words: Polyhedrone C2nH2n, INDO calculation, Localized molecular orbital
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Hu Xu-guang, Li Qian-shu . A Study on Electronic Structure of Polyhedranes C2nH2nwith Molecular Orbital Method[J]. Chem. J. Chinese Universities, 1991, 12(8): 1091.
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http://www.cjcu.jlu.edu.cn/EN/Y1991/V12/I8/1091