Charge scaling parameter evaluation for multivalent ionic liquids with fixed point charge force fields
Within the context of molecular simulations, one of the key force field parameters is the value of the partial charges on different atom sites. Due to the influential role of electrostatics in the behavior of ionic liquids (ILs), the assignment of partial charges is a particularly important aspect o...
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| Autori principali: | , , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Elsevier
2022-06-01
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| Serie: | Journal of Ionic Liquids |
| Soggetti: | |
| Accesso online: | http://www.sciencedirect.com/science/article/pii/S2772422022000040 |
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