Calculations of pKa values of carboxylic acids in aqueous solution using density functional theory

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Bibliographic Details
Published in:The Journal of chemical thermodynamics 2006-12, Vol.38 (12), p.1495-1502
Main Authors: NAMAZIAN, Mansoor, HALVANI, Sakineh
Format: Article
Language:English
Subjects:
Chemical thermodynamics
Chemistry
Exact sciences and technology
General and physical chemistry
General. Theory
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ISSN:0021-9614
1096-3626
DOI:10.1016/j.jct.2006.05.002