Code
- Gaussian16/09/03 [user manual(html)]
- GAMESS [user manual(pdf)] [summary]
- Firefly (old PC GAMESS) [user manual(pdf)] [summary]
- NWChem [user manual(html)]
- Cfour [user manual(html)] [user manual ACESII-MAB(html)]
- ORCA [user manual] [summary]
- Psi4 [summary]
Visualization / Pre- and post-processor
- WebMO [user manual(html)]
- GaussView
- GamessQ [tutorial]
- MacMolPlot [web]
- Molby [web]
- AIMALL
- Molden [web]
- Gabedit [web]
- Openbabel [web]
- PyMol [tutorial]
- MSC [web]
Utility / Tools
- AutoHotKey [web] for bootcamp windows on mac
Database / Resources
- CCCBDB (Computational Chemistry Comparison and Benchmark DataBase) [glossary]
- PubChemQC Project [web]
- Trygve Helgakar [Presentations][Publications]
