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Deconstructing inverse phase transfer catalysis with computer simulations

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posted on 2017-09-22, 18:06 authored by John KarnesJohn Karnes, Ilan BenjaminIlan Benjamin
An overview of recent work toward understanding the mechanism of inverse phase transfer catalysis where b-cyclodextrin catalyzes a biphasic SN2 reaction. Presented September 19, 2017.

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NSF

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    molecular dynamicsinverse phase transfer catalysisempirical valence bondEVBhost/guestcyclodextrinComputational ChemistryStatistical Mechanics in ChemistryTheoretical and Computational Chemistry not elsewhere classified

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    CC BY 4.0

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