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Movies from molecular dynamics simulations of 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 (10 MB)
     
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