Representation of the molecular electrostatic potential by a net atomic charge model

Journal of Computational Chemistry

Volumn 2, Issue 3, 1981, Pages 304-323

  Cox, S R ^a   Williams, D E ^a  

^a UNIVERSITY OF LOUISVILLE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84986513563     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.540020312     Document Type: Article

References (16)

1. Improved simulation of liquid water by molecular dynamics
2. Intermolecular interactions in crystals of carboxylic acids
3. The four-center charge distribution of the carbonate ion and the lattice energies of calcite and aragonite
4. The electrostatic term in lattice-energy calculations: C2H2, CO2and C2N2