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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Detalles Bibliográficos
Autores principales: Esser, Lars, Macchieraldo, Roberto, Elfgen, Roman, Sieland, Melanie, Smarsly, Bernd Michael, Kirchner, Barbara
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7795733/
https://www.ncbi.nlm.nih.gov/pubmed/33375378
http://dx.doi.org/10.3390/molecules26010079

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7795733/
https://www.ncbi.nlm.nih.gov/pubmed/33375378
http://dx.doi.org/10.3390/molecules26010079

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