Ab initio molecular dynamics simulations of SO 2 solvation in choline chloride/glycerol deep eutectic solvent

2017 ◽  
Vol 448 ◽  
pp. 59-68 ◽  
Author(s):  
Alexander Korotkevich ◽  
Dzmitry S. Firaha ◽  
Agilio A.H. Padua ◽  
Barbara Kirchner
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations

Ab Initio Molecular Dynamics Simulations of an Excited State of X-(H2O)3(X = Cl, I) Complex

2005 ◽  
Vol 109 (42) ◽  
pp. 9419-9423 ◽  
Author(s):  
M. Kołaski ◽  
Han Myoung Lee ◽  
Chaeho Pak ◽  
M. Dupuis ◽  
Kwang S. Kim
Keyword(s):  
Molecular Dynamics ◽  
Excited State ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations
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