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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