Tutorials

• Tutorials for Computational Chemistry and Physics Sciences at Minnesota Supercomputing Institute

• Computational chemistry google directory.

Graphic interfaces and visualization tools

• • Gabedit    [ Tutorial ] [ Manual ]

  • Jmol

  • Molden

  • Molekel

  • VMD

  • WebMO

Quantum chemistry packages

• • Gamess-US, [ Manual ]

  • Gaussian, [ Manual ]

  • Molcas, [ Manual ]

  • Molpro, [ Manual ]

  • MPQC, [ Manual ]

  • Mopac 2007, [ Manual ]

  • PCGamess, [ Manual ]

  • Q-Chem 3.1, [ Manual ]

  • PSI3, [ Manual ]

  • Multimode, [ Manual ]

• Spartan

• EMSL Basis Set Exchange

• Computational Chemistry Comparison and Benchmark DataBase