Integral equation study of hydrophobic interaction: A comparison between the simple point charge model for water and a Lennard-Jones model for solvent

Journal of Chemical Physics

Volumn 126, Issue 14, 2007, Pages

  Sumi, Tomonari ^a   Sekino, Hideo ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; FLUID DYNAMICS; HYDROGEN BONDS; HYDROPHOBICITY; INTEGRAL EQUATIONS; MATHEMATICAL MODELS;

HYPERNETTED CHAIN; MOLECULAR FLUIDS; POINT CHARGE MODEL; POTENTIAL OF MEAN FORCE (PMF);

SOLVENTS;

SOLVENT; WATER;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; ELECTRICITY; HYDROPHOBICITY; SOLUBILITY; SOLUTION AND SOLUBILITY;

ALGORITHMS; COMPUTER SIMULATION; ELECTROSTATICS; HYDROPHOBICITY; MODELS, CHEMICAL; MODELS, MOLECULAR; SOLUBILITY; SOLUTIONS; SOLVENTS; WATER;

EID: 34247262684     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2718520     Document Type: Article

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