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Movies from molecular dynamics simulations of the Kirchner group

Movies from molecular dynamics simulations of the Kirchner group.

Contents

 

  • Simple argon simulation: few interactions, simple dynamics
    Argon (1.6 MB)
  • Spontaneous ionic liquid channel formation between TiO2 surfaces
    IL channel between TiO2 surfaces (45 MB)
  • 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)
    water (103 MB)
  • Synthesis of Te2Br:
    movie (79 MB)
  • Activation of CO2 in an ionic liquid:
    EmimGly4CO2-2.mp4 (52 MB)
  • emimgly4co2.mp4 (38 MB)  

 

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