Quantum chemical predictions of aqueous pKa values for OH groups of some α-hydroxycarboxylic acids based on ab initio and DFT calculations

Quantum chemical predictions of aqueous pKa values for OH groups of some α-hydroxycarboxylic acids based on ab initio and DFT calculations

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1125, 1 February 2018, Pages 29-38

Snehasis Banerjee, Sunil K. Bhanja, Pijush Kanti Chattopadhyay,