TiCl(4) Dissolved in Ionic Liquid Mixtures from Аb Initio Molecular Dynamics Simulations

To gain a deeper understanding of the TiCl [Formula: see text] solvation effects in multi-component ionic liquids, we performed ab initio molecular dynamics simulations of 1-butyl-3-methylimidazolium [C [Formula: see text] C [Formula: see text] Im] [Formula: see text] , tetrafluoroborate [BF [Formul...

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Bibliographic Details
Published in:Molecules
Main Authors: Esser, Lars, Macchieraldo, Roberto, Elfgen, Roman, Sieland, Melanie, Smarsly, Bernd Michael, Kirchner, Barbara
Format: Artigo
Language:Inglês
Published: MDPI 2020
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Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7795733/
https://ncbi.nlm.nih.gov/pubmed/33375378
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26010079
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