Introduction to Quantum Chemistry with Spartan

Submitted by pogorelo on Tue, 03/20/2012 - 14:30

 

This tutorial is designed to help getting started with Spartan. Single point energy, frequencies and normal modes calculations performed on molecules of water and formaldehyde. Geometry optimization and calculation of proton affinity are introduced. No knowledge of Spartan, the quantum chemistry software, is assumed. 

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SCS-UIUC-tutorial-QM-spartan-1-intro-2015.pdf 1.46 MB