Computational methodology for chirality determination in the Soai reaction by crystals: γ-glycine

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Computational methodology for chirality determination in the Soai reaction by crystals: γ-glycine

The autocatalytic Soai reaction gives abundant evidence of the enantioselective adsorption of organic compounds on a variety of crystals. Computational modelling can provide insight into mechanisms of enantioselectivity. Here, we use a combination of simulated annealing, forcefield, and quantum mech...

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Bibliographic Details
Main Authors:	Carter, Damien, Kahr, B., Rohl, Andrew
Format:	Journal Article
Published:	Springer-Verlag 2007 2012
Online Access:	http://hdl.handle.net/20.500.11937/38423

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