What far-infrared spectra can contribute to the development of force fields for ionic liquids used in molecular dynamics simulations.
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).
Köddermann
Thorsten
T
Abteilung Physikalische Chemie, Institut für Chemie, Universität Rostock, Dr.-Lorenz-Weg 1, 18051 Rostock, Germany.
Fumino
Koichi
K
Ludwig
Ralf
R
Canongia Lopes
José N
JN
Pádua
Agílio A H
AA