Density and temperature dependences of hydration free energy of Na+ and Cl- at supercritical conditions predicted by ab initio/classical free energy perturbation

Journal of Physical Chemistry B

Volumn 107, Issue 35, 2003, Pages 9505-9513

  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

CHLORINE; COMPUTER SIMULATION; DENSITY (SPECIFIC GRAVITY); ERRORS; EXTRAPOLATION; FREE ENERGY; HYDRATION; INTERPOLATION; MASS SPECTROMETRY; PERTURBATION TECHNIQUES; SODIUM; THERMAL EFFECTS;

BORN MODELS; ION WATER INTERACTION ENERGY; LENNARD-JONES MODELS; SOLUTE SOLVENT INTERACTIONS;

MOLECULAR DYNAMICS;

EID: 0141794637     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034226a     Document Type: Article

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