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CHEM 3106 [0.5 credit] Computational Chemistry Methods Laboratory

Industry-standard quantum chemistry software is used for Hartree-Fock, density functional, and post Hartree-Fock correlation calculations. Results are applied to problems in molecular structure, thermodynamics, vibrational spectroscopy, and kinetics. The UNIX operating system, Bourne-shell programming, and Python scripting are also introduced.
Includes: Experiential Learning Activity
Prerequisite(s): CHEM 3102 (may be taken concurrently).
Laboratory three hours a week.