Hydration free energy and potential of mean force for a model of the sodium chloride ion pair in supercritical water with ab initio solute-solvent interactions

Journal of Chemical Physics

Volumn 118, Issue 6, 2003, Pages 2837-2844

  Liu, Wenbin ^a   Wood, Robert H ^a   Doren, Douglas J ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; FREE ENERGY; HYDRATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; POSITIVE IONS; QUANTUM THEORY; WATER;

AB INITIO SOLUTE SOLVENT INTERACTIONS; POTENTIAL OF MEAN FORCE; SUPERCRITICAL WATER;

SODIUM CHLORIDE;

EID: 0037425956     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1536164     Document Type: Article

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