✦ LIBER ✦
What Far-Infrared Spectra Can Contribute to the Development of Force Fields for Ionic Liquids Used in Molecular Dynamics Simulations
✍ Scribed by Thorsten Köddermann; Koichi Fumino; Ralf Ludwig; José N. Canongia Lopes; Agílio A. H. Pádua
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 274 KB
- Volume
- 10
- Category
- Article
- ISSN
- 1439-4235
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
Symbiosis: Far‐infrared spectra can be used to check the quality of force fields for molecular dynamics simulations of ionic liquids. On the other hand, MD simulations can explain the molecular basis of measured properties for this new liquid material (see picture).magnified image