From hydrophobic to hydrophilic behaviour: A simulation study of solvation entropy and free energy of simple solutes

Journal of Chemical Physics

Volumn 107, Issue 6, 1997, Pages 1981-1991

  Lynden Bell, R M ^a   Rasaiah, J C ^b  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^b University of Maine   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; COMPUTER SIMULATION; ENTHALPY; FREE ENERGY; HYDRATION; HYDROGEN BONDS; IONS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; SOLUTIONS;

HYDROPHILIC CONDITION; HYDROPHOBIC CONDITION; LENNARD-JONES SOLUTES; SIMPLE POINT CHARGE MODEL; SOLVATION ENTROPY;

ENTROPY;

EID: 0031559501     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474550     Document Type: Article

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