The Impact of Computational Uncertainties on the Enantioselectivity Predictions: A Microkinetic Modeling of Ketone Transfer Hydrogenation with a Noyori‐type Mn‐diamine Catalyst
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DOI: 10.1002/cctc.202100341
Abstract: Selectivity control is one of the most important functions of a catalyst. In asymmetric catalysis the enantiomeric excess (e.e.) is a property of major interest, with a lot of effort dedicated to developing the most… read more here.
Keywords: microkinetic modeling; transfer hydrogenation; reaction; catalyst ... See more keywords