Ionic Liquids Treated within the Grand Canonical Adaptive Resolution Molecular Dynamics Technique

Ionic Liquids Treated within the Grand Canonical Adaptive Resolution Molecular Dynamics Technique

We use the Grand Canonical Adaptive Resolution Molecular Dynamics Technique (GC-AdResS) to examine the essential degrees of freedom necessary for reproducing the structural properties of the imidazolium class of ionic liquids. In this technique, the atomistic details are treated as an open sub-regio...

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Bibliographic Details
Main Authors: B. Shadrack Jabes, Christian Krekeler
Format: Article
Language:English
Published: MDPI AG 2018-02-01
Series:Computation
Subjects:
GC-AdResS
imidazolium based ionic liquids
multiscale molecular dynamics
Online Access:http://www.mdpi.com/2079-3197/6/1/23

Internet

http://www.mdpi.com/2079-3197/6/1/23

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