Molecular dynamics simulation of the squarate anion in acetonitrile solution

2004 ◽  
Vol 6 (11) ◽  
pp. 2956 ◽  
Author(s):  
Ary O. Cavalcante ◽  
S�rgio M. Urahata ◽  
Mauro C. C. Ribeiro
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Acetonitrile Solution

Solvation structure of lanthanide(iii) bistriflimide salts in acetonitrile solution: a molecular dynamics simulation and EXAFS investigation

2019 ◽  
Vol 21 (24) ◽  
pp. 13058-13069 ◽  
Author(s):  
Valentina Migliorati ◽  
Adriano Filipponi ◽  
Francesco Sessa ◽  
Andrea Lapi ◽  
Alessandra Serva ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Coordination Complexes ◽  
Dynamics Simulation ◽  
Acetonitrile Solution ◽  
Solvation Structure ◽  
Acetonitrile Solutions ◽  
Solvent Molecules

Lanthanide3+ ions in acetonitrile solutions of bistriflimide salts form 10-fold coordination complexes composed of both solvent molecules and counterions

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