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Quantum chemistry resources

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

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