Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Accurate and Rapid Prediction of pKa of Transition Metal Complexes: Semiempirical Quantum Chemistry with a DataAugmented Approach
, Authors:
Vivek Sinha, Jochem Jan Laan, Evgeny Pidko
Version 1 posted 14 October 2020
585
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