Session S17 (Sunday, 3:40pm, Thomas 121)

P98: An integrated approach to computational molecular modeling in the undergraduate organic laboratory - WITHDRAWN

Brian Esselman (University of Wisconsin, USA), Nicholas Hill (University of Wisconsin-Madison, USA)

Advances in software and hardware have promoted the use of computational molecular modeling (CMM) in all branches of chemical research.  Consequently, it has become imperative that undergraduates become accustomed to performing simple calculations using computational software, interpreting the output data, and using that data to explain a chemical concept.  At the University of Wisconsin-Madison, we have recently begun to employ CMM in a high-enrollment undergraduate organic chemistry laboratory in a manner that reflects a more authentic approach. In doing so, obstacles related to technical resources and student preparation in order to accommodate >1000 students/year have been overcome.  Students now utilize CMM data to provide deeper understanding of chemical concepts and to support their experimental work during the semester.  By integrating CMM throughout the laboratory curriculum, emphasis is placed not on the mechanics of obtaining data but rather on how the data provide insight into the experimental results.

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