Correlations and predictions of carboxylic acid pKa values using intermolecular structure and properties of hydrogen-bonded complexes

Journal of Physical Chemistry A

Volumn 112, Issue 4, 2008, Pages 775-782

  Tao, Li ^a,b   Han, Jun ^a,c   Tao, Fu Ming ^a  

^a CALIFORNIA STATE UNIVERSITY   (United States)

^b STANFORD UNIVERSITY   (United States)

^c AMGEN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; CARBOXYLIC ACIDS; COMPLEXATION; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; PROTEINS;

MOLECULAR PROPERTIES; MOLECULAR SYSTEM;

MOLECULAR STRUCTURE;

EID: 84962408511     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp710291c     Document Type: Article

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