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Description

This introductory course in computational chemistry will discuss molecular mechanics, semiempirical, and particularly ab initio approaches. The course will be project-based, and students will be encouraged to pursue projects related to their own research if possible. This is a graduate-level course but should be accessible to advanced undergraduates. Graduate-level quantum mechanics is not required, but a good undergraduate-level quantum chemistry background is expected.



David Sherrill 2005-08-09