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Journal of Computational Chemistry

Volumn 23, Issue 7, 2002, Pages 706-714

New approach to free energy of solvation applying continuum models to molecular dynamics simulation

(2) Gonçalves, Paulo F B a Stassen, Hubert a

a FEDERAL UNIVERSITY OF RIO GRANDE DO SUL (Brazil)

Author keywords

Aqueous solutions; Continuum model; Molecular dynamics; Solvation free energy

Indexed keywords

COMPUTER SIMULATION; CONTINUUM MECHANICS; FREE ENERGY; MATHEMATICAL MODELS; SOLUTIONS; SOLVENTS; VAN DER WAALS FORCES;

CLAVERIE-PIEROTTI MODEL; SOLVATION;

MOLECULAR DYNAMICS;

EID: 0036572083 PISSN: 01928651 EISSN: None Source Type: Journal
DOI: 10.1002/jcc.10076 Document Type: Article

Times cited : (18)

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