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Tutorial Software

  • How to use MOPAC2012
  • Drawing Complexes
  • Geometry Optimization
  • Visualizing Molecules
  • UV Vis Lanthanide Spectroscopy Software
  • Infrared Lanthanide Spectroscopy Software
  • Drawing orbitals - HOMO LUMO
  • Electrostatic Potential Map - Ligand Docking
  • pKa Values of Hydrogen Atoms Attached to Oxygen Atoms of Lanthanide Complexes
  • Solvent Effects - COSMO
  • Nonlinear Optics - Time Dependent Hartree-Fock
  • Reaction Coordinates
  • Transition State Optimization
  • Spin density
  • Electron Density
  • Solid State

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