Chem. J. Chinese Universities ›› 1991, Vol. 12 ›› Issue (8): 1107.
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Zheng Shi-jun, Cai Xin-hua, Meng Ling-peng, Xu Zhen-feng
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Abstract: The topological properties of hydrogen-bond, the bond variation of transition structures on reaction path and the characters of the Laplacian super-surface of electronic density are discussed. The calculated results based on the semi-empirical method in this paper have good linear correlativitic-s with those of ab initio calculation.
Key words: Quantum topology, Electronic density, Laplacian amount
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Zheng Shi-jun, Cai Xin-hua, Meng Ling-peng, Xu Zhen-feng . The Method of Topological on the Distribution of Electronic Density Based on Semi-empirical SCF-MO Method (Ⅱ)[J]. Chem. J. Chinese Universities, 1991, 12(8): 1107.
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http://www.cjcu.jlu.edu.cn/EN/Y1991/V12/I8/1107
