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Autor/inn/en | Soong, Ronald; Pautler, Brent G.; Moser, Arvin; Jenne, Amy; Lysak, Daniel H.; Adamo, Antonio; Simpson, Andre J. |
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Titel | CASE (Computer-Assisted Structure Elucidation) Study for an Undergraduate Organic Chemistry Class |
Quelle | In: Journal of Chemical Education, 97 (2020) 3, S.855-860 (6 Seiten)Infoseite zur Zeitschrift
PDF als Volltext |
Zusatzinformation | ORCID (Soong, Ronald) ORCID (Simpson, Andre J.) |
Sprache | englisch |
Dokumenttyp | gedruckt; online; Zeitschriftenaufsatz |
ISSN | 0021-9584 |
Schlagwörter | Spectroscopy; Science Instruction; Artificial Intelligence; Educational Technology; Technology Uses in Education; Organic Chemistry; College Science; Undergraduate Study |
Abstract | Structure determination via NMR spectroscopy is a fundamental topic taught in many advanced level chemistry courses. Despite its importance as an analytical instrument, many students find the principle behind NMR-facilitated structure determination difficult to embrace. To this end, an artificial intelligence (AI) software package, namely, ACD/Structure Elucidator, is used to facilitate the teaching of NMR spectroscopic principles and its application in "de novo" structure elucidation of large complex organic molecules in an upper level organic chemistry class. For the purpose of this technology report, a set of standard multidimensional NMR spectra of quinidine will be used as an example, illustrating to students the potential of computer-assisted structure elucidation (CASE) as a tool for better understanding NMR spectra. (As Provided). |
Anmerkungen | Division of Chemical Education, Inc. and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc |
Erfasst von | ERIC (Education Resources Information Center), Washington, DC |
Update | 2024/1/01 |