Department of Chemistry, Iowa State University

 

Iowa State University

Useful Chemistry Links


Societies and the like

Generally useful information

Computational chemistry resources

  • This is a standard NIST location to look up computational chemistry benchmark values
  • Interested in Computational Chemistry? Here are web pages of GAMESS and Gaussian suites of quantum chemical software packages. As a point of information, it should be stated that Gaussian, Inc. has chosen to deny Iowa State University the option of buying a licence for any recent version of Gaussian.
  • This is the outstanding PNNL site and their basis set database.
  • Larry Curtiss has posted his Gn benchmark data.

 

 


William S. Jenks
wsjenks@iastate.edu, 515/294-4711
3760 Gilman Hall, Iowa State University
Ames, Iowa 50011-3111