CHED 451 |
| I will present several examples of how I have used computational chemistry in teaching and undergraduate research. In the teaching laboratory, I have used computations in several instances, not so much as a means to teach about the underlying theories, but rather, as a “canvass” upon which to present and/or reinforce certain fundamental concepts. In our newly-revamped first semester general chemistry course (as well as in the accelerated one-semester general chemistry course), my colleagues and I have implemented a computational “lab” in which we teach VSEPR theory and polarity concepts in a student centered manner. In physical chemistry, I often start the one-year lab sequence with a computational exercise dealing with reaction energies, not only as a means by which to introduce first semester (i.e. pre-quantum chemistry) students to the ways that molecules store energy, but also to enable them to model the results of their calorimetry experiments, which extends the interpretation of such data. Recently, computations have become in integral part of my research program as well – the primary focus of which is experimental (vibrational spectroscopy). In the context of this session however, I have found that using computations as a “first step” for introducing students to my research has been quite effective. It helps them gain some familiarity with the molecules we study, and enables them to more readily connect with the broader issues related to the work.
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Computational Chemistry Investigations for Undergraduates
8:30 AM-11:55 AM, Wednesday, 13 September 2006 San Francisco Marriott -- Salon A1, Oral
Division of Chemical Education |