Solvation structure, thermodynamics, and molecular conformational equilibria for n-butane in water analyzed by reference interaction site model theory using an all-atom solute model

Journal of Physical Chemistry B

Volumn 106, Issue 25, 2002, Pages 6554-6565

  Cui, Qizhi ^a   Smith Jr , Vedene H ^a  

^a QUEEN S UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR CONFORMATIONAL EQUILIBRIA;

COMPUTER SIMULATION; ENTHALPY; FREE ENERGY; HYDRATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; SOLVENTS; THERMODYNAMICS;

BUTANE;

EID: 0037183047     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020191n     Document Type: Article

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