Intermolecular structure and dynamics in an ionic liquid: A Car–Parrinello molecular dynamics simulation study of 1,3-dimethylimidazolium chloride

2006 ◽  
Vol 417 (4-6) ◽  
pp. 486-491 ◽  
Author(s):  
B.L. Bhargava ◽  
S. Balasubramanian
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Structure And Dynamics

Distance Angle Descriptors of the Interionic and Ion–Solvent Interactions in Imidazolium-Based Ionic Liquid Mixtures with Aprotic Solvents: A Molecular Dynamics Simulation Study

2019 ◽  
Vol 123 (28) ◽  
pp. 6065-6075 ◽  
Author(s):  
Volodymyr A. Koverga ◽  
Yevheniia Smortsova ◽  
François Alexandre Miannay ◽  
Oleg N. Kalugin ◽  
Toshiyuki Takamuku ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Liquid Mixtures ◽  
Dynamics Simulation ◽  
Aprotic Solvents ◽  
Solvent Interactions
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