Movies from the Kirchner group

Movies from molecular dynamics simulations of the Kirchner group.

Contents

  • Potential vaporization mechanism of [Emim][EtSO4] (Slab simulation):
    [Emim][EtSO4] (21 MB)
  • Radical elimination of the phenol OH-hydrogen atom by a CH3-radical in [Emim][EtSO4]:
    Phenol+CH3 (16 MB)
  • Electrostatic potential from a metadynamics trajectory plotted on the electron density. Comparison of a molecule in gas phase and in solution:
    electrostatic_potential (21 MB)
  • Molecular dynamics simulation of water (128 molecules):
    water (101 MB)
    (movie in lower quality: water_lq ) (10 MB)
Impressum Last modified 14.03.2017 W. Reckien