Density functional theory of solvation in a polar solvent: Extracting the functional from homogeneous solvent simulations

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

Volumn 66, Issue 3, 2002, Pages

  Ramirez, Rosa ^a   Gebauer, Ralph ^a   Mareschal, Michel ^a   Borgis, Daniel ^b,c  

^a UNIVERSITÉ DE LYON   (France)

^b UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^c UNIVERSITÉ D EVRY VAL D ESSONNE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DIELECTRIC MATERIALS; FREE ENERGY; FUNCTIONS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROBABILITY DENSITY FUNCTION;

DIRECT CORRELATION FUNCTIONS; ORNSTEIN-ZERNIKE (OZ) EQUATION; POLAR SOLVENT; SOLVATION FREE ENERGY;

SOLVENTS;

ARTICLE;

EID: 41349089274     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.66.031206     Document Type: Article

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