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ChemPhysChem

Volumn 5, Issue 4, 2004, Pages 449-455

Hybrid integral-equation/simulation models: From complexation thermodynamics to direct free energies

(1) Kast, Stefan M a

a DARMSTADT UNIVERSITY OF TECHNOLOGY (Germany)

Author keywords

Free energies; Liquids; Molecular simulations; Solvent effects; Statistical mechanics

Indexed keywords

COMPUTATION THEORY; DISTRIBUTION FUNCTIONS; FREE ENERGY; LIQUIDS; MOLECULAR STRUCTURE; SOLVENTS; STATISTICAL MECHANICS;

COMPLEX FORMATIONS; COMPLEXATION THERMODYNAMICS; DIRECT COMPUTATIONS; INHERENT LIMITATIONS; INTEGRAL-EQUATION THEORY; MOLECULAR SIMULATIONS; SOLUTE MOLECULES; SOLVENT EFFECTS;

INTEGRAL EQUATIONS;

ARTICLE; CALCULATION; ENERGY; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; SIMULATION; THEORY; THERMODYNAMICS;

EID: 2442476179 PISSN: 14394235 EISSN: None Source Type: Journal
DOI: 10.1002/cphc.200300990 Document Type: Article

Times cited : (8)

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