Article ID Journal Published Year Pages File Type
5410203 Journal of Molecular Liquids 2015 7 Pages PDF
Abstract
We present here a detailed analysis of the cage structure of two representative ILs containing xenon as a solute. A theoretical definition of cage for Xe in ILs is given. The results highlight a very important contribution of the cations and a minor, though not negligible, effect of the anions on the structural and dynamic properties of the cage.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
MD simulation of xenon in ionic liquids: Disentangling the cationic and anionic cage effects on the structural and dynamic properties
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