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ERIC Number: EJ1003020
Record Type: Journal
Publication Date: 2012-Nov
Pages: 6
Abstractor: As Provided
Reference Count: 15
ISBN: N/A
ISSN: ISSN-0021-9584
Introductory Molecular Orbital Theory: An Honors General Chemistry Computational Lab as Implemented Using Three-Dimensional Modeling Software
Ruddick, Kristie R.; Parrill, Abby L.; Petersen, Richard L.
Journal of Chemical Education, v89 n11 p1358-1363 Nov 2012
In this study, a computational molecular orbital theory experiment was implemented in a first-semester honors general chemistry course. Students used the GAMESS (General Atomic and Molecular Electronic Structure System) quantum mechanical software (as implemented in ChemBio3D) to optimize the geometry for various small molecules. Extended Huckel calculations were also performed using ChemBio3D, and the results were then used to develop molecular orbital theory descriptions of the bonding. Both quantitative (posttest results) and qualitative (online student evaluations) data were used in the assessment of student learning. (Contains 2 tables and 4 figures.)
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
Publication Type: Journal Articles; Reports - Research
Education Level: Higher Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A