Integrating Computational Molecular Modeling into the Undergraduate Organic Chemistry Curriculum

• Autores: Allen D. Clauss, Stephen F. Nelsen
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 86, Nº 8 (August), 2009, págs. 955-958
• Idioma: inglés
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• Resumen

  • 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.