Theoretical study of carboxylic acids with explicit water molecules

Journal of Molecular Structure: THEOCHEM

Volumn 763, Issue 1-3, 2006, Pages 199-204

  Chuchev, Krum ^a   BelBruno, Joseph J ^a  

^a Dartmouth College   (United States)

Author keywords

Carboxylic acids; DFT; pKa; Structure

Indexed keywords

EID: 33748031431     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.01.033     Document Type: Article

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