How sensitive are physical properties of choline chloride–urea mixtures to composition changes: Molecular dynamics simulations and Kirkwood–Buff theory

2021 ◽  
Vol 154 (18) ◽  
pp. 184502
Author(s):  
Alper T. Celebi ◽  
Noura Dawass ◽  
Othonas A. Moultos ◽  
Thijs J. H. Vlugt
Keyword(s):  
Molecular Dynamics ◽  
Physical Properties ◽  
Molecular Dynamics Simulations ◽  
Choline Chloride ◽  
Dynamics Simulations ◽  
Composition Changes

scholarly journals N,N-Dimethylpyridin-4-amine (DMAP) based ionic liquids: evaluation of physical properties via molecular dynamics simulations and application as a catalyst for Fisher indole and 1H-tetrazole synthesis

RSC Advances ◽  
2017 ◽  
Vol 7 (54) ◽  
pp. 34197-34207 ◽  
Author(s):  
Sarfaraz Ali Ghumro ◽  
Sana Saleem ◽  
Mariya al-Rashida ◽  
Nafees Iqbal ◽  
Rima D. Alharthy ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Physical Properties ◽  
Molecular Dynamics Simulations ◽  
Click Chemistry ◽  
Facile Synthesis ◽  
Fischer Indole Synthesis ◽  
Dynamics Simulations ◽  
Indole Synthesis

N,N-dimethylpyridin-4-amine (DMAP) based ionic liquids (ILs) as new and efficient catalysts for the facile synthesis of indoles (via Fischer indole synthesis), and 1H-tetrazoles (via click chemistry).

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