Accurate prediction of absolute acidity constants in water with a polarizable force field: Substituted phenols, methanol, and imidazole

Journal of Physical Chemistry B

Volumn 109, Issue 12, 2005, Pages 5884-5890

  Kaminski, George A ^a  

^a CENTRAL MICHIGAN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIMERIZATION; ELECTROSTATICS; FREE ENERGY; MATHEMATICAL MODELS; METHANOL; MOLECULAR DYNAMICS; ORGANIC SOLVENTS; PHENOLS; POLARIZATION; PROTEINS; SUBSTITUTION REACTIONS; WATER;

ABSOLUTE ACIDITY; ELECTROSTATIC POLARIZATION; IMIDAZOLE; POLARIZABLE FORCE FIELDS;

ACIDITY;

EID: 17144418459     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050156r     Document Type: Article

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