Computational Tools
Molecular Modelling and Quantum Chemistry
- Gaussian 09 & 16
- Q-Chem 5.1
- Amber & AmberTools
- ORCA 6
- ADF 2013
- TurboMole 7
- xtb
- MOPAC
- Multiwfn
- FCclasses
-
NCIPLOT
Visualization
- CCDC Mercury
- CrystalExplorer
- Avogadro
- GaussView
- UCSF Chimera
- ChimeraX
