Abstract
An applied computational chemistry laboratory exercise is described in which students use modern quantum chemical calculations of chemical shifts to assign the structure of a recently isolated natural product. A pre/post assessment was used to measure student learning gains and verify that students demonstrated proficiency of key learning objectives.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 561-566 |
| Number of pages | 6 |
| Journal | Journal of Chemical Education |
| Volume | 92 |
| Issue number | 3 |
| DOIs | |
| State | Published - Mar 10 2015 |
Keywords
- Computational Chemistry
- Computer-Based Learning
- Laboratory Computing/Interfacing
- Laboratory Instruction
- NMR Spectroscopy
- Organic Chemistry
- Upper-Division Undergraduate
ASJC Scopus subject areas
- Chemistry(all)
- Education
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Palazzo, T. A., Truong, T. T., Wong, S. M. T., Mack, E. T., Lodewyk, M. W., Harrison, J. G., Gamage, R. A., Siegel, J., Kurth, M. J., & Tantillo, D. J. (2015). Reassigning the structures of natural products using NMR chemical shifts computed with quantum mechanics: A laboratory exercise. Journal of Chemical Education, 92(3), 561-566. https://doi.org/10.1021/ed4006584