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  Home > JCE Print > Journal of Chemical Education > Issues > 2009  > August  >
In the Laboratory
Molecular Modeling Exercises and Experiments
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
Cover
August 2009
Vol. 86 No. 8
p. 955

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.

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Supplement
Lab manual chapter covering molecular modeling; Molecular modeling notes for the teaching assistants; Molecular modeling answer key; Student feedback on molecular modeling experiences
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Citation
Clauss, Allen D.; Nelsen, Stephen F. J. Chem. Educ. 2009, 86, 955.
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Keywords
Computational Chemistry; Computer-Based Learning; Conformational Analysis; Covalent Bonding; Curriculum; Hands-On Learning / Manipulatives; Inquiry-Based / Discovery Learning; Laboratory Instruction; Lewis Structures; Misconceptions / Discrepant Events; MO Theory; Molecular Modeling; Molecular Modeling; Molecular Properties / Structure; Organic Chemistry; Second-Year Undergraduate; Upper-Division Undergraduate; Valence Bond Theory
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History
Created:
Last Updated:
6/16/2009
7/3/2009
 Caution! 
Experiments, laboratory exercises, lecture demonstrations, and other descriptions of the use of chemicals, apparatus, instruments, computers, and computer interfaces are presented in the Journal of Chemical Education as illustrative of new or improved ideas or concepts in chemistry instruction and are directed at qualified teachers. Although every effort is made to assure and encourage safe practices and safe use of chemicals, the Journal of Chemical Education cannot assume responsibility for uses made of its published materials. Many chemicals are hazardous. Precautions for the safe use of hazardous chemicals and directions for their proper disposal are described in the Material Safety Data Sheets and on the labels. We strongly urge all those planning to use materials from our pages to make choices and to develop procedures for laboratory and classroom safety in accordance with local needs and situations.
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