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Simulating polarizable molecular ionic liquids with Drude oscillators
The Drude oscillator model is applied to the molecular ionic liquid 1-ethyl-3-methyl-imidazolium triflate. The range of manageable Drude charges is tested. The strength of the polarizability is systematically varied from 0% to 100%. The influence on the structure, single particle dynamics and collec...
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| Vydáno v: | J Chem Phys |
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| Hlavní autoři: | , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2010
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7613784/ https://ncbi.nlm.nih.gov/pubmed/20969407 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3493689 |
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