Classical density functional theory of solvation in molecular solvents: Angular grid implementation

Chemical Physics Letters

Volumn 474, Issue 4-6, 2009, Pages 366-370

  Gendre, Lionel ^a   Ramirez, Rosa ^a   Borgis, Daniel ^a,b  

^a UNIVERSITÉ D EVRY VAL D ESSONNE   (France)

^b ECOLE NORMALE SUPÉRIEURE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANGULAR DISTRIBUTION; COMPUTATION THEORY; DISTRIBUTION FUNCTIONS; FREE ENERGY; INTEGRAL EQUATIONS; IONIC LIQUIDS; MOLECULAR ORIENTATION; SOLVATION; SOLVENTS;

DIRECT CORRELATION FUNCTIONS; FREE ENERGY DENSITY; MOLECULAR SOLVENTS; ORNSTEIN-ZERNIKE EQUATIONS; PAIR DISTRIBUTION FUNCTIONS; POSITION AND ORIENTATIONS; SOLVATION PROPERTIES; SOLVATION STRUCTURE;

DENSITY FUNCTIONAL THEORY;

EID: 65749116664     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.04.077     Document Type: Article

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