Examining the Aufbau Principle and Ionization Energies: A Computational Chemistry Exercise for the Introductory Level

Autor/inn/en	Metz, Irene K.; Bennett, Joseph W.; Mason, Sara E.
Titel	Examining the Aufbau Principle and Ionization Energies: A Computational Chemistry Exercise for the Introductory Level
Quelle	In: Journal of Chemical Education, 98 (2021) 12, S.4017-4025 (9 Seiten)Infoseite zur Zeitschrift PDF als Volltext Verfügbarkeit
Zusatzinformation	ORCID (Metz, Irene K.) ORCID (Bennett, Joseph W.)
Sprache	englisch
Dokumenttyp	gedruckt; online; Zeitschriftenaufsatz
ISSN	0021-9584
DOI	10.1021/acs.jchemed.1c00700
Schlagwörter	Chemistry; Computation; Introductory Courses; Open Source Technology; Hands on Science; Science Laboratories; Cooperative Learning; Data Analysis; Graphs; Critical Thinking + Suchen Sie Ihr Suchwort? Chemie; Einführungskurs; Kooperatives Lernen; Auswertung; Grafische Darstellung; Kritisches Denken
Abstract	While computational chemistry continues to play a growing role in chemical research, issues with access and the timing of when these tools are introduced to chemistry students remain as barriers to wider interest and use. The accessibility of free software for chemical modeling has increased in recent years, promoting the inclusion of computational exercises at small undergraduate or secondary education institutions. However, as many computational chemistry methods are based on advanced theories, students are often not exposed to computational chemistry until organic or physical chemistry courses. This work looks at using an open-source code to introduce computational chemistry in first-year or introductory level courses while enhancing understanding of the Aufbau principle, electron configurations, and ionization energy. Additionally, this hands-on, interactive laboratory activity promotes important workplace skills such as collaboration, data analysis, graphical interpretation, and critical thinking. (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