Spartan calculation program in inorganic courses
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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