Raman Spectra of Ionic Liquids:  A Simulation Study of AlF3and Its Mixtures with NaF

2006 ◽  
Vol 110 (13) ◽  
pp. 6683-6691 ◽  
Author(s):  
Zehra Akdeniz ◽  
Paul A. Madden
Keyword(s):  
Ionic Liquids ◽  
Raman Spectra ◽  
Simulation Study

scholarly journals Xenon Dynamics in Ionic Liquids: A Combined NMR and MD Simulation Study

2020 ◽  
Vol 124 (30) ◽  
pp. 6617-6627 ◽  
Author(s):  
Franca Castiglione ◽  
Giacomo Saielli ◽  
Michele Mauri ◽  
Roberto Simonutti ◽  
Andrea Mele
Keyword(s):  
Ionic Liquids ◽  
Simulation Study ◽  
Md Simulation

Raman spectra of ionic liquids: Interpretation via computer simulation

2004 ◽  
Vol 120 (14) ◽  
pp. 6609-6620 ◽  
Author(s):  
Paul A. Madden ◽  
Mark Wilson ◽  
Francis Hutchinson
Keyword(s):  
Computer Simulation ◽  
Ionic Liquids ◽  
Raman Spectra

Dissolution of cellulose in ionic liquids: an ab initio molecular dynamics simulation study

2014 ◽  
Vol 16 (33) ◽  
pp. 17458-17465 ◽  
Author(s):  
Rajdeep Singh Payal ◽  
Sundaram Balasubramanian
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Simulation Study ◽  
Molecular Hydrogen ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations

Dissolution of cellulose in ionic liquids involves breaking of its inter- and intra-molecular hydrogen bonding network, as seen through ab initio molecular dynamics simulations.

The chemical stability of phosphonium-based ionic liquids under gamma irradiation

RSC Advances ◽  
2015 ◽  
Vol 5 (36) ◽  
pp. 28570-28581 ◽  
Author(s):  
Ryan P. Morco ◽  
Jiju M. Joseph ◽  
J. Clara Wren
Keyword(s):  
Ionic Liquids ◽  
Gamma Irradiation ◽  
Raman Spectra ◽  
Chemical Stability ◽  
Irradiation Time

Photographs of irradiated [P14666][dca] and the corresponding UV-vis and Raman spectra, and conductivities as a function of irradiation time. Black, blue and red lines are for 0, 96 and 192 h of irradiation, respectively.

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