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Comparing reduced partial charge models with polarizable simulations of ionic liquids
Molecular ionic liquids are typically characterized by strong electrostatic interactions resulting in a charge ordering and retardation of their translational and rotational behaviour. Unfortunately, this effect is often overestimated in classical molecular dynamics simulations. This can be circumve...
Tallennettuna:
| Julkaisussa: | Phys Chem Chem Phys |
|---|---|
| Päätekijä: | |
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
2012
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| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7613810/ https://ncbi.nlm.nih.gov/pubmed/22287020 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c2cp23329k |
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