Integrating Computational Molecular Modeling into the Undergraduate Organic Chemistry Curriculum

Allen D. Clauss and Stephen F. Nelsen
Department of Chemistry, University of Wisconsin–Madison, Madison, WI 53706
J. Chem. Educ., 2009, 86 (8), p 955
DOI: 10.1021/ed086p955
Publication Date (Web): August 1, 2009
History, Education, and Documentation

Abstract

An instructional unit is described for integrating computational molecular modeling into the undergraduate organic chemistry laboratory curriculum. The approach emphasizes use of computational modeling as a readily available, efficient tool for understanding structure and reactivity, predicting products, and rationalizing the results of organic reactions performed in the laboratory. This approach has been used in a large organic chemistry lab program for five semesters with favorable results. Through individual hands-on experience with computational modeling, students gain a more complete and correct understanding of structure, bonding, and reactivity.

Keywords (Audience):

Second-Year Undergraduate

Keywords (Domain):

Curriculum

Keywords (Feature):

Molecular Modeling Exercises and Experiments

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Computational Chemistry
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  • Received: August 03, 2009

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