dihexa predicted pka prediction using quantum mechanics and machine learning pKa prediction in non‐aqueous solvents
pKa prediction in nonaqueous solvents Zheng 2025 Journal of Computational Chemistry Wiley Online Library Physicochemical Properties Cambridge MedChem Consulting Calculating pKa with Density Functional Theory pKa prediction from ab initio calculations Research Outreach Phenol Substituents and Their Observed and Predicted pKa Values Download Scientific Diagram What pka would you guys estimate and why? I don't know if I should be using the pka of 11 or 36 for molecules with NH2. I thinkI was made aware of
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