Session S26d (Wednesday, 9:30am, Thomas 117)

P721: Using computational chemistry to enhance student engagement in the undergraduate chemistry laboratory

Lorena Tribe (Pennsylvania State University – Berks, USA)

With a more relaxed environment than a lecture hall, and a more personal interaction with instructors than in multitudinous classes, the chemistry laboratory is the ideal setting in which to introduce an early exposure to computational chemistry. Spartan, a user-friendly computational package that spans a variety of theoretical approaches, was used effectively by students to provide a visual representation of the molecules involved in laboratory experiments, to calculate reaction energies, and to enhance their understanding of IR spectra. The details of the implementation and student feedback will be discussed.


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