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ChemPhysChem

Volumn 6, Issue 9, 2005, Pages 1800-1804

Amine hydration: A united-atom force-field solution

(3) Oostenbrink, Chris b Juchli, Daniel a Van Gunsteren, Wilfred F a

a ETH ZURICH (Switzerland)

b VU UNIVERSITY AMSTERDAM (Netherlands)

Author keywords

Amines; Force field calculations; Free energy of solvation; GROMOS; Molecular dynamics

Indexed keywords

AMINES; AMMONIA; ATOMS; CHLORINE COMPOUNDS; HYDRATION; MOLECULAR DYNAMICS;

APOLAR MEDIA; ENERGY OF SOLVATION; FORCE FIELD CALCULATIONS; GROMOS; GROMOS FORCE FIELDS; PARAMETER SET; RELATIVE FREE ENERGY; UNITED ATOM FORCE FIELD;

FREE ENERGY;

EID: 24944548627 PISSN: 14394235 EISSN: None Source Type: Journal
DOI: 10.1002/cphc.200400542 Document Type: Article

Times cited : (28)

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