Ab initio quantum mechanical calculations of pK(a)s of isolated molecules and molecules undergoing chemical reactions: pK(a) of acetic acid during α-proton abstraction

Physical Chemistry Chemical Physics

Volumn 1, Issue 24, 1999, Pages 5643-5647

  Peräkylä, Mikael ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

ACETIC ACID; CARBOXYLIC ACID; PROTON;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; GEOMETRY; MOLECULAR MODEL; PH; PKA; QUANTUM MECHANICS;

EID: 0033572245     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a907913k     Document Type: Article

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