Načítá se...
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...
Uloženo v:
| Vydáno v: | Phys Chem Chem Phys |
|---|---|
| Hlavní autor: | |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2012
|
| Témata: | |
| On-line přístup: | 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 |
| Tagy: |
Přidat tag
Žádné tagy, Buďte první, kdo otaguje tento záznam!
|