Modeling molecular and ionic absolute solvation free energies with quasichemical theory bounds

Journal of Chemical Physics

Volumn 129, Issue 13, 2008, Pages

  Rogers, David M ^a   Beck, Thomas L ^a  

^a UNIVERSITY OF CINCINNATI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAYESIAN NETWORKS; CHLORINE COMPOUNDS; COMPUTATION THEORY; ENERGY EFFICIENCY; SHELLS (STRUCTURES); SODIUM COMPOUNDS; SOLVATION;

AQUEOUS SOLVATION; BAYESIAN ESTIMATIONS; ENERGY ESTIMATES; HYDROPHILIC AND HYDROPHOBIC; QUASI-CHEMICAL THEORY; SOLUTE-SOLVENT INTERACTION; SOLVATION FREE ENERGIES; UPPER AND LOWER BOUNDS;

FREE ENERGY;

EID: 53449095986     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2985613     Document Type: Article

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