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

EngineeringBiochemistryPhysicochemical AnalysisNatural SciencesQuantum Chemical PredictionsOh GroupsOrganic ChemistryComputational ChemistryDft CalculationsQuantum ChemistryChemistrySpectra-structure CorrelationAb-initio Method