Molecular dynamics simulation of far infrared absorption in liquid OCS
✍ Scribed by Hubert Stassen; Thomas Dorfmüller
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 874 KB
- Volume
- 187
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## 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
WC report the comparison bctwccn the c~pcnmcnfzd absorption spectrum of Cl? at lrquid dcnslly in Ihc "nut-infrxcd" Ircqucncy rcg~on illld that oblcined by a computer simulation when the quadrupolc-induccddlpolc mcchamsm IS taken into account The c\pcrimcntal lindmgs show that a fxstcr decay proccn c