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Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods
Hunt, Peter A., Hosseini-Gerami, Layla, Chrien, Tomas, Plante, Jeffrey, Ponting, David John, Segall, MatthewJournal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.0c00105
Date:
May, 2020
File:
PDF, 802 KB
2020