Computational resources

Selected computational chemistry program manuals:

• Gaussian
• Turbomole
• Orca
• Dalton2016
• MOPAC

Useful tools/programs:

• Avogadro: cross-platform molecule viewer
• Jmol: cross-platform molecule viewer
• cclib: a powerful Python library for handling compchem output

Free books and tutorials:

• Python3 Computations in Science and Engineering (book)
• Sherrill group progamming and comp-chem tools
• Burke Group ABC of DFT
• PyQuante: comp-chem algorithms implemented in python.