Molecular electrostatic properties using point charges: Ab initio hybridization displacement charges combined with bond-centered charges

Journal of Molecular Structure: THEOCHEM

Volumn 621, Issue 3, 2003, Pages 261-278

  Singh, A K ^a   Kumar, A ^a   Mishra, P C ^a  

^a BANARAS HINDU UNIVERSITY   (India)

Author keywords

Charge distribution; Dipole moment; Hybridization displacement charge; Molecular bonding; Molecular electrostatic potential

Indexed keywords

BORON; LITHIUM;

ARTICLE; ATOMIC PARTICLE; CHEMICAL BOND; CORRELATION COEFFICIENT; DIATOM; DIPOLE; ELECTRIC POTENTIAL; ELECTRICITY; INFORMATION; MATHEMATICAL COMPUTING; STATISTICAL ANALYSIS;

EID: 0037470281     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00642-5     Document Type: Article

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