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Chemistry (CHEM)

Department of Chemistry
Faculty of Science

CHEM 3106 [0.5 credit]

Computational Chemistry Methods Laboratory

Use of PC Spartan. Molecular mechanics models. Geometry optimization, vibration frequencies, IR spectra, animation of normal modes. Ab initio and semi-empirical models. Selection of an appropriate model; comparison of results. Reaction thermochemistry. Molecular structure. Transition states and activation energies. Display of graphical surfaces.
Prerequisite: CHEM 3102 (may be taken concurrently).
Laboratory four hours a week.

Summer session: some of the courses listed in this Calendar are offered during the summer. Hours and scheduling for summer session courses will differ significantly from those reported in the fall/winter Calendar. To determine the scheduling and hours for summer session classes, consult the class schedule at central.carleton.ca

Not all courses listed are offered in a given year. For an up-to-date statement of course offerings for the current session and to determine the term of offering, consult the class schedule at central.carleton.ca

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