Excellent response of the DFT study to the calculations of accurate relative pKa value of different benzo-substituted quinuclidines
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference56 articles.
1. Calculations of pKa values of carboxylic acids in aqueous solution using density functional theory;Namazian;J. Chem. Thermodyn.,2006
2. Drastic influence of boron atom on the acidity of alcohol in both gas phase and solution phase, A DFT Study;Kheirjou;J. Theor. Comput. Chem.,2013
3. First-principles calculation of pKa values for organic acids in nonaqueous solution;Ding;J. Org. Chem.,2009
4. Ab initio calculations of pKa values of some organic acids in aqueous solution;Namazian;J. Mol. Struct. (Theochem),2003
5. Accurate relative pKa calculations for carboxylic acids using complete basis set and Gaussian-n models combined with continuum solvation methods;Toth;J. Chem. Phys.,2001
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