Comparative study of electrostatic solvent response by RISM and PCM methods

International Journal of Quantum Chemistry

Volumn 107, Issue 2, 2007, Pages 265-274

  Chiodo, S ^b   Chuev, G N ^a   Erofeeva, S E ^a   Fedorov, M V ^a,c   Russo, N ^b   Sicilia, E ^b  

^a INSTITUTE OF THEORETICAL AND EXPERIMENTAL BIOPHYSICS   (Russian Federation)

^b UNIVERSITY OF CALABRIA   (Italy)

^c UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

Electrostatic solvent response; Polarizable continuum model; Reference interaction site model

Indexed keywords

ATOMIC PHYSICS; CONTINUUM MECHANICS; ELECTROSTATICS; FREE ENERGY; QUANTUM THEORY;

ELECTROSTATIC SOLVENT RESPONSE; POLARIZABLE CONTINUUM MODEL; POLYATOMIC CATIONS; REFERENCE INTERACTION SITE MODEL;

SOLVENTS;

EID: 84962368241     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21188     Document Type: Conference Paper

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