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Theoretical and Computational Chemistry

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Maddalena Bronzato

2 results in Authors: Maddalena Bronzato

Theoretical and Computational Chemistry

Solving the Problem of Aqueous pKa Prediction for Tautomerizable Compounds Using Equilibrium Bond Lengths

Beth A. Caine, Maddalena Bronzato, Torquil Fraser, Nathan Kidley, Christophe Dardonville, Paul Popelier

Version 1 posted 06 September 2019

440

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Theoretical and Computational Chemistry

Experiment Stands Corrected: Accurate Prediction of the Aqueous pKa Values of Sulfonamide Drugs Using Equilibrium Bond Lengths

Beth A. Caine, Maddalena Bronzato, Paul Popelier

Version 1 posted 15 April 2019

775

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