Computer Simulation of Molecular Structures


U.Sternberg, F.-Th.Koch and P.Losso

English    German

COSMOS - The research and educational tool for chemistry and material science

  • "Sketch and optimize" and "drag-and-drop" facilities
  • Hybrid force field including true polarization
  • molecular dynamics
  • Periodic and crystallographic box
  • Crystallography with all space groups
  • NMR structure calculations - including chemical shifts and tensors
  • Molecular graphics with ray tracing support
  • Stereo display and 3D screen support

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