Ion Solvation Thermodynamics from Simulation with a Polarizable Force Field

Journal of the American Chemical Society

Volumn 125, Issue 50, 2003, Pages 15671-15682

  Grossfield, Alan ^a   Ren, Pengyu ^a   Ponder, Jay W ^a  

^a WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

NONPOLARIZABLE FORCE FIELDS; SOLVATION;

COMPUTER SIMULATION; ELECTROLYTES; ENTHALPY; FREE ENERGY; MOLECULAR DYNAMICS; QUANTUM THEORY; WATER;

SALTS;

CATION; CHLORIDE ION; ELECTROLYTE; FORMAMIDE; ION; POTASSIUM ION; SODIUM ION;

ARTICLE; CALCULATION; ENERGY; ENTHALPY; FORCE; MEASUREMENT; MOLECULAR DYNAMICS; POLARIZATION; QUANTUM MECHANICS; SIMULATION; SOLVATION; TECHNIQUE; THERMODYNAMICS;

ANIONS; CATIONS; CHLORIDES; COMPUTER SIMULATION; POTASSIUM; SODIUM; SOLUTIONS; THERMODYNAMICS;

EID: 0346850017     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja037005r     Document Type: Article

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