Calculation of intermolecular interaction energies by direct numerical integration over electron densities. I. Electrostatic and polarization energies in molecular crystals

Journal of Physical Chemistry B

Volumn 106, Issue 16, 2002, Pages 4145-4154

  Gavezzotti, Angelo ^a  

^a UNIVERSITY OF MILAN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC POLARIZABILITY PARAMETERS;

CARRIER CONCENTRATION; COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; CRYSTAL SYMMETRY; ELECTRIC POTENTIAL; ELECTRON ENERGY LEVELS; ELECTROSTATICS; LIGHT POLARIZATION; MATHEMATICAL MODELS; MOLECULAR STRUCTURE;

MOLECULAR CRYSTALS;

EID: 0037172130     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0144202     Document Type: Article

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