Characterization of low-barrier hydrogen bonds. 8. Substituent effects on the strength and geometry of the formic acid-formate anion model system. An ab initio and DFT investigation

Journal of the American Chemical Society

Volumn 120, Issue 13, 1998, Pages 3159-3165

  Kumar, Ganesh A ^a   McAllister, Michael A ^a  

^a UNIVERSITY OF NORTH TEXAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; FORMIC ACID; PROTON;

ARTICLE; CHEMICAL REACTION; DENSITY; ENZYME ACTIVE SITE; ENZYME MECHANISM; ENZYME STABILITY; GEOMETRY; HYDROGEN BOND; IONIC STRENGTH; MODEL; PKA; THEORY;

EID: 0032495787     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja972745j     Document Type: Article

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