Aqueous interaction site integral-equation theory that exactly takes into account intramolecular correlations

Journal of Chemical Physics

Volumn 137, Issue 15, 2012, Pages

  Chong, Song Ho ^a   Ham, Sihyun ^a  

^a Sookmyung Women's University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

3D-RISM; ANGULAR DECOMPOSITION; BRIDGE FUNCTIONS; HYDRATION STRUCTURE; HYDROGEN DISTRIBUTION; INTEGRAL-EQUATION THEORY; INTERACTION SITE; INTERMOLECULAR BRIDGES; INTRAMOLECULAR CORRELATIONS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SOLUTE; QUANTITATIVE ACCURACY; REFERENCE INTERACTION SITE MODELS; SOLUTE MOLECULES; STRUCTURAL CORRELATION; SUPERCRITICAL CONDITION; SURFACE REGION; WATER DISTRIBUTIONS; WATER MOLECULE;

HYDRATION; HYDROGEN; MOLECULAR DYNAMICS; MOLECULES; THREE DIMENSIONAL; THREE DIMENSIONAL COMPUTER GRAPHICS; WATER SUPPLY SYSTEMS;

INTEGRAL EQUATIONS;

EID: 84867827730     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4758072     Document Type: Article

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