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Simulations of guest transport in clathrates of Dianin's compound and hydroquinone

Nemkevich, Alexandra; Spackman, Mark A; Corry, Ben


Clathrates have been proposed for use in a variety of applications including gas storage, mixture separation and catalysis due to the potential for controlled guest diffusion through their porous lattices. Here molecular dynamics simulations are employed

CollectionsANU Research Publications
Date published: 2013
Type: Journal article
Source: Chemistry, A European Journal
DOI: 10.1002/chem.201202035


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