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  5. Introduction to Quantum Chemistry with Spartan

Introduction to Quantum Chemistry with Spartan

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      • Basics of membrane-protein interactions using molecular dynamics with NAMD, VMD, and CHARMM-GUI
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      • Introduction to Quantum Chemistry with Spartan
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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. 

To print this tutorial, visit the KnowledgeBase article.

College of Liberal Arts & Sciences School of Chemical Sciences
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