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  Home > JCE Print > Journal of Chemical Education > Issues > 2002  > July  >
Information • Textbooks • Media • Resources
Spreadsheet Methods for Point Group Theoretical Calculations
Edward Vitz
Department of Chemistry, Kutztown University of Pennsylvania, Kutztown, PA 19530
Cover
July 2002
Vol. 79 No. 7
p. 896
Full Text
This WebWare submission includes a Microsoft Excel 2000 workbook designed to facilitate group theoretical calculations, and an article explaining several examples of how the templates might be used in a typical upper-level undergraduate, or graduate-level course. The Excel workbook contains about 30 templates, including a set of the 12 character tables most commonly used for chemical applications, and a set of templates illustrating typical calculations based on the character tables. Included are examples of spreadsheet calculations to demonstrate orthogonality, to determine the symmetry of vibrational/rotational modes, and to determine the central atom orbitals appropriate for bonding in complexes of various molecular geometries. Also included is a template that demonstrates how spreadsheet matrix operations can be used to demonstrate closure of group operations. Some of the problems are keyed to those in popular texts, but all are compatible with virtually any text on group theory. The Excel templates provide projectable character tables that are useful to lecturers with classrooms equipped for computer projection. Projected Excel character tables allow teachers to graphically demonstrate group theoretical calculations in a manner that should ease and enhance student learning.
Supplement
This JCE WebWare application is available here.
More Information
*  Citation
 Vitz, Ed. J. Chem. Educ. 2002 79 896.
*  Keywords
 Computer Assisted Instruction; Group Theory; Teaching / Learning Aids
*  History
 Created:
Last Updated:		 June 17, 2002
June 9, 2005
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