Self-consistent-field calculation of Pauli repulsion and dispersion contributions to the solvation free energy in the polarizable continuum model

Journal of Physical Chemistry B

Volumn 101, Issue 6, 1997, Pages 1051-1057

  Amovilli, Claudio ^a   Mennucci, Benedetta ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CARRIER CONCENTRATION; ELECTRONS; IONIZATION; MATHEMATICAL MODELS; MOLECULAR WEIGHT; POLARIZATION; REFRACTIVE INDEX; SET THEORY; SOLVENTS;

DISPERSION CONTRIBUTIONS; INTERMOLECULAR FORCES; PAULI REPULSION; POLARIZABLE CONTINUUM MODEL; SOLVATION;

FREE ENERGY;

EID: 0031555697     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9621991     Document Type: Article

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