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Polarizable molecular dynamics simulations of ionic liquids: Influence of temperature control
Ionic liquids are an interesting class of soft matter with viscosities of one or two orders of magnitude higher than water. Unfortunately, classical, non-polarizable MD simulations of ionic liquids result in too slow dynamics and demonstrate the need for explicit inclusion of polarizability. The inc...
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| Publicado en: | J Chem Phys |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2020
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7610910/ https://ncbi.nlm.nih.gov/pubmed/33480729 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5143746 |
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