Integrating Computational Molecular Modeling into the Undergraduate Organic Chemistry Curriculum

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 prod...

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Bibliographic Details
Published inJournal of chemical education Vol. 86; no. 8; p. 955
Main Authors Clauss, Allen D., Nelsen, Stephen F.
Format Journal Article
LanguageEnglish
Published Easton Division of Chemical Education 01.08.2009
American Chemical Society
Subjects
Chemistry
Computer memory
Computer simulation
Curricula
Curriculum development
Molecular orbitals
Organic chemistry
Personal computers
Science education
Software
Second-Year Undergraduate
Molecular Modeling Exercises and Experiments
Curriculum
Computer-Based Learning
Computational Chemistry
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Summary: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.
ISSN:0021-9584
1938-1328
DOI:10.1021/ed086p955