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Predicting pKa Using a Combination of Semi-Empirical Quantu..:
Hunt, Peter
;
Hosseini-Gerami, Layla
;
Chrien, Tomas
...
Journal of Chemical Information and Modeling. 60 (2020) 6 - p. 2989-2997 , 2020
Link:
https://doi.org/10.1021/acs.jcim.0c00105
RT Journal T1 <Title>Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.0c00105&Exemplar=1&LAN=DE A1 Hunt, Peter A1 Hosseini-Gerami, Layla A1 Chrien, Tomas A1 Plante, Jeffrey A1 Ponting, David J. A1 Segall, Matthew PB American Chemical Society (ACS) YR 2020 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 60 IS 6 SP 2989 OP 2997 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.0c00105 DO https://doi.org/10.1021/acs.jcim.0c00105 SF ELIB - SuUB Bremen
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