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Quantum-Chemical and Molecular Dynamics Investigations of Magnesium Chloride Complexes in Dimethoxyethane Solutions
[Image: see text] Quantum-chemical calculations and classical and ab initio molecular dynamics simulations have been performed to study the Mg(2+)-conducting electrolytes based on Mg(TFSI)(2)/MgCl(2) solutions in dimethoxyethane. It has been shown that depending on the TFSI/Cl(–) ratio, the Mg(2)Cl(...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7288557/ https://www.ncbi.nlm.nih.gov/pubmed/32548468 http://dx.doi.org/10.1021/acsomega.0c00594 |