Free Energy of Solvation from Molecular Dynamics Simulations for Low Dielectric Solvents

Journal of Computational Chemistry

Volumn 24, Issue 14, 2003, Pages 1758-1765

  Gonçalves, Paulo F B ^a   Stassen, Hubert ^a  

^a FEDERAL UNIVERSITY OF RIO GRANDE DO SUL   (Brazil)

Author keywords

Benzene; CCl4; CHCl3; Molecular dynamics; Solvation free energy

Indexed keywords

BENZENE; CAVITATION; COMPUTER SIMULATION; DIELECTRIC MATERIALS; FREE ENERGY; PERMITTIVITY; SOLVENTS;

SOLVATION FREE ENERGY;

MOLECULAR DYNAMICS;

EID: 0141990822     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10294     Document Type: Article

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