A new scheme for determination of atomic charges and bond charges in large molecules

Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities

Volumn 18, Issue 8, 1997, Pages

  Wang, Chang Sheng ^a   Sun, Ren An ^a   Yang, Zhong Zhi ^b  

^a JILIN UNIVERSITY   (China)

^b LIAONING NORMAL UNIVERSITY   (China)

Author keywords

Atomic charges; Bond charges; Electronegativity equalization principle

Indexed keywords

EID: 2842536874     PISSN: 02510790     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (6)

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5. YANG Zhongzhi, SHEN Erzhong. Science in China, Series B English Edition), 1996, 39: 20
6. Parr R. G., Yang W.. Density Functional Theory of Atoms and Molecules, New York: Oxford Univ. Press, 1989