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Simulating a Host/Guest System at the Liquid/Liquid Interface

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Version 2 2017-09-22, 17:57
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poster
posted on 2017-09-22, 17:57 authored by John KarnesJohn Karnes, Ilan BenjaminIlan Benjamin
Poster showing preliminary molecular dynamics studies that investigate the structure of the water/bromooctane interface, solvent arrangement around b-cyclodextrin, and the stability of b-cyclodextrin/broooctane host/guest complexes. September 2016.

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NSF

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    Keywords

    molecular dynamicscyclodextrinhost/guestStatistical Mechanics in ChemistryTheoretical and Computational Chemistry not elsewhere classifiedComputational ChemistryPhysical Chemistry not elsewhere classified

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    CC BY 4.0

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