Density functional theory response to the calculations of pKa values of some carboxylic acids in aqueous solution

Journal of Molecular Structure: THEOCHEM

Volumn 711, Issue 1-3, 2004, Pages 13-18

  Namazian, Mansoor ^a   Halvani, Sakineh ^a   Noorbala, Mohammad R ^a  

^a YAZD UNIVERSITY   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACID DERIVATIVE; SOLVENT; WATER;

ACIDITY; AQUEOUS SOLUTION; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY; ENTROPY; PKA; THEORETICAL STUDY;

EID: 13844254412     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.07.032     Document Type: Article

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