Hydration free energy of hydrophobic solutes studied by a reference interaction site model with a repulsive bridge correction and a thermodynamic perturbation method

Journal of Chemical Physics

Volumn 113, Issue 7, 2000, Pages 2793-2805

  Kovalenko, Andriy ^a   Hirata, Fumio ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; COMPUTER SIMULATION; FREE ENERGY; HYDRATION; HYDROPHOBICITY; MATHEMATICAL MODELS; MOLECULAR PHYSICS; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; WATER;

HYPERNETTED CHAIN (HNC); REFERENCE INTERACTION SITE MODEL (RISM); REPULSIVE BRIDGE CORRECTIONS (RBC);

ATOMIC PHYSICS;

EID: 0034246473     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1305885     Document Type: Article

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