Solvation model for chloroform based on class IV atomic charges

Journal of Physical Chemistry B

Volumn 101, Issue 11, 1997, Pages 2061-2069

  Giesen, David J ^a   Chambers, Candee C ^a,b   Cramer, Christopher J ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

^b MERCYHURST COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTROSTATICS; FREE ENERGY; POLARIZATION; QUANTUM THEORY; SOLUTIONS; SOLVENTS; SURFACE TENSION;

BORN MODEL; CHLOROFORM; FOCK OPERATOR; QUANTUM MECHANICAL SELF CONSISTENT REACTION FIELD MODEL; SOLVATION MODEL;

ORGANIC COMPOUNDS;

EID: 0031099030     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp963080v     Document Type: Article

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