dihexa predicted pka (PNB-0408) pKa prediction in non‐aqueous solvents
pKa prediction in nonaqueous solvents Zheng 2025 Journal of Computational Chemistry Wiley Online Library Recent Developments of Computational Methods for pKa Prediction Based on Electronic Structure Theory with Solvation Models pKa Values Span 60 Orders Of Magnitude (!) Putting Them In Perspective Towards the Eldorado of pKa Determination: A Reliable and Rapid DFT Model
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