Molecular electronegativity in density functional theory (VI) - Atom-bond electronegativity equalization model

Science in China, Series B: Chemistry

Volumn 41, Issue 3, 1998, Pages 331-336

  Yang, Zhongzhi ^a   Wang, Changsheng ^b   Tang, Aoqing ^b  

^a LIAONING NORMAL UNIVERSITY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

Charge distribution; Density functional theory; Electronegativity equalization method; Electronic density; Total molecular energy

Indexed keywords

EID: 0042590238     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02879716     Document Type: Article

References (20)

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