Spartan calculation program in inorganic courses

Submitted by Hilary Eppley / DePauw University on Wed, 05/21/2014 - 16:14

I am thinking about incorporating some calculation exercises into my inorganic course in the fall (possibly something like the Using Computational Chemistry to discuss backbonding in CO).   We currently have a license for Spartan (which can certainly do a number of different types of levels of calculations, including DFT).   Has anyone else used Spartan for such things?  If so, what basis sets did you use for your calculations?       

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