Deutsch Intern
Würthner Group: Organic Materials and Nanosystems Chemistry

Computational Methods

Molecular Modelling and Quantum Chemistry
  • Gaussian 09
  • Schrödinger MacroModel 9.8
  • Hypercube HyperChem 7.0.3
  • Orca 2.9
  • ADF 2014
  • TurboMole 6.5
  • MOPAC 2012
  • Biovia Materials Studio
Visualization
  • CCDC Mercury 3.0
  • Schrödinger Maestro 9.3
  • Strata 3D CX5 & Strata 3D CX7
  • PyMOL 1.3
  • VMD 1.9.1
  • QuteMol