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Ionic Liquids: A Simple Model to Predict Ion Conductivity Based on DFT Derived Physical Parameters
A model able to a priori predict ion conductivities of ionic liquids (ILs) is a desired design tool. We here propose a set of simple conductivity models for ILs composed of small ions by only using data easily derived from standard DFT calculations as input; ion volume, ion mass, ion moment of inert...
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| Pubblicato in: | Front Chem |
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| Autori principali: | , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Frontiers Media S.A.
2019
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6423347/ https://ncbi.nlm.nih.gov/pubmed/30931299 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2019.00126 |
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