Calculation of absolute and relative acidities of substituted imidazoles in aqueous solvent

Journal of Physical Chemistry A

Volumn 101, Issue 51, 1997, Pages 10075-10081

  Topol, I A ^a   Tawa, G J ^a   Burt, S K ^a   Rashin, A A ^b  

^a SAIC FREDERICK INC   (United States)

^b BioChemComp Inc New Jersey   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; FREE ENERGY; HYDRATION; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SOLVENTS; SUBSTITUTION REACTIONS;

SELF CONSISTENT REACTION FIELD METHOD; SUBSTITUTED IMIDAZOLES;

IONIZATION;

EID: 0031358013     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9723168     Document Type: Article

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