Thermodynamic decomposition of hydration free energies by computer simulation: Application to amines, oxides, and sulfides

Journal of Physical Chemistry B

Volumn 101, Issue 49, 1997, Pages 10527-10534

  Kubo, Masahito Mogami ^a   Gallicchio, Emilio ^a   Levy, Ronald M ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; AMMONIA; ELECTRONIC STRUCTURE; ENTHALPY; ENTROPY; ETHERS; FINITE DIFFERENCE METHOD; GIBBS FREE ENERGY; HYDROGEN SULFIDE; MOLECULAR DYNAMICS; PYROLYSIS; WATER;

FREE ENERGY PERTURBATION METHOD; SOLVATION;

HYDRATION;

EID: 0031553195     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972598b     Document Type: Article

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