Electrostatic component of solvation: Comparison of SCRF continuum models

Journal of Computational Chemistry

Volumn 24, Issue 3, 2003, Pages 284-297

  Curutchet, Carles ^a   Cramer, Christopher J ^b   Truhlar, Donald G ^b   Ruiz López, Manuel F ^c   Rinaldi, Daniel ^c   Orozco, Modesto ^a   Luque, F Javier ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

^b University of Minnesota   (United States)

^c NANCY UNIVERSITÉ   (France)

Author keywords

Cavity; Electric dipole moment; Polarization; Self consistent reaction field; Solvation free energy

Indexed keywords

COMPUTATIONAL METHODS; FREE ENERGY; PERMITTIVITY; POLARIZATION; QUANTUM THEORY; SOLVENTS;

DIPOLE MOMENTS;

ELECTROSTATICS;

EID: 84962439423     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10143     Document Type: Article

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