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Development of Heterogeneous Enantioselective Catalysts using Chiral Metal-Organic Frameworks MOFs
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Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted

Tessa Jalink1, Tom Farrand1, Carmelo Herdes1

  • 1Department of Chemical Engineering, University of Bath, Bath, BA2 7AY UK.

Chemistry Central Journal
|November 9, 2016
PubMed

Keywords:
Ab-initio simulationsMolecular dynamicsMonte CarloProchiral substratesRacemic mixturesStereochemistryTransition states

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