OPLS all-atom model for amines: Resolution of the amine hydration problem

Journal of the American Chemical Society

Volumn 121, Issue 20, 1999, Pages 4827-4836

  Rizzo, Robert C ^a   Jorgensen, William L ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINE; AMMONIA; DIMETHYLAMINE; METHYLAMINE; TRIMETHYLAMINE;

ARTICLE; COMPUTER SIMULATION; HYDRATION; HYDROGEN BOND; MOLECULAR INTERACTION; POLARIZATION; SOLVATION;

EID: 0033606250     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja984106u     Document Type: Article

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