Atom-bond electronegativity equalization method. 1. Calculation of the charge distribution in large molecules

Journal of Physical Chemistry A

Volumn 101, Issue 35, 1997, Pages 6315-6321

  Yang, Zhong Zhi ^a   Wang, Chang Sheng ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; QUANTUM THEORY;

ATOM BOND ELECTRONEGATIVITY EQUALIZATION METHOD; DENSITY FUNCTIONAL THEORY (DFT);

MOLECULAR PHYSICS;

EID: 0031208133     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9711048     Document Type: Article

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