Chargement en cours...
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...
Enregistré dans:
| Publié dans: | Phys Chem Chem Phys |
|---|---|
| Auteur principal: | |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2012
|
| Sujets: | |
| Accès en ligne: | 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 |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|