Prediction of properties from simulations: Free energies of solvation in hexadecane, octanol, and water

Journal of the American Chemical Society

Volumn 122, Issue 12, 2000, Pages 2878-2888

  Duffy, Erin M ^a   Jorgensen, William L ^b  

^a PFIZER INC   (United States)

^b YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HEXADECANE; OCTANOL; WATER;

ARTICLE; ENERGY TRANSFER; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DYNAMICS; PREDICTION; QUANTUM MECHANICS; SOLVATION;

EID: 0034728673     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja993663t     Document Type: Article

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