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Minimizing the Black Box Effect: Using Normal Mode Analysis to Integrate Computational Methods into the Physical Chemistry Course

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Julio F. Caballero

Argentine Consultants in Education, 2306 Branard, Houston, TX 77098

Delphia F. Harris

Department of Chemistry and Physics, University of St. Thomas, 3800 Montrose Blvd, Houston, TX 77006

J. Chem. Educ., 1999, 76 (9), p 1298

DOI: 10.1021/ed076p1298

Publication Date (Web): September 1, 1999

Abstract

The use of normal mode analysis in molecular vibrational studies as an introduction to computational methods in a physical chemistry course is presented. Students are involved in a literature search for molecules of current interest and in the use of a program that requires substantial student interaction to minimize the "black box" effect in this computational project. Learning objectives and results of research on molecules of atmospheric interest are presented.