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Computational Aspects In Supramolecular Chemistry: Chiral Discrimination In Chromatography

K. Lipkowitz, A. Anderson
Published 1994 · Chemistry

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The supramolecular assemblies that form during chiral chromatographic resolution of enantiomers are diastereomeric. A variety of computational approaches are used to discern where and how chiral discrimination takes place on increasingly more complex chiral stationary phases (CSPs) beginning with simple brush-like CSPs, and continuing to macrocyclic cyclodextrins and chiral polymers like cellulose triacetate. In all cases computational chemistry provides detailed atomic level information not amenable to experimentation.



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