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Theoretical pKa calculations with continuum model solvents, alternative protocols to thermodynamic cycles - Casasnovas - 2014 - International Journal of Quantum Chemistry - Wiley Online Library
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Toward the accurate calculation of pKa values in water and acetonitrile. | Semantic Scholar
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On the Accuracy of the Direct Method to Calculate pKa from Electronic Structure Calculations | The Journal of Physical Chemistry A
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Scheme 1. Thermodynamic cycle for calculation of pKa values of acids | Download Scientific Diagram
