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  Home > JCE Print > Journal of Chemical Education > Issues > 1998  > October  >
Research: Science and Education
REDUCE: A Program for Reducing Reducible Representations
James F. O'Brien
Department of Chemistry, Southwest Missouri State University, Springfield, MO 65804

Bruno F. Schmidt
Department of Computer Science, Southwest Missouri State University, Springfield, MO 65804

Cover
October 1998
Vol. 75 No. 10
p. 1338

Abstract
The treatment of symmetry continues to grow in the undergraduate curriculum. Textbooks in physical and inorganic chemistry now treat the subject in considerable detail. Application of symmetry principles to vibrational analysis and to the determination of hybrid orbitals requires the use of the "reduction formula". The tedious arithmetic involved in applying the reduction formula to reducible representations is best done by a computer. While a spreadsheet may be used with effectiveness, the program described in this paper is much more convenient.

REDUCE has 27 character tables in its data base. In addition it will do vibrational analysis on the linear point groups Dh and Cv following the approach of McGinn. It will reduce any reducible representation into the irreducible representations which comprise it. Three options that arise most commonly are presented to the user: All Vibrations, Specific Vibrations, and Hybrid Orbitals.

Supplement
The REDUCE program can be accessed by a PDF file. The text material is available as Microsoft Word documents and the program is available as PC/DOS files.
*  Contents
*  Download
supp1338.sit

supp1338.zip

supp1338.pdf

More Information
*  Citation
O'Brien, James F.; Schmidt, Bruno F. J. Chem. Educ. 1998 75 1338.
*  Keywords
inorganic chem, physical chem, group theory, IR spectroscopy, computer assisted instruction
*  History
Created:
Last Updated:
June 21, 1999
November 22, 2005
  Home > JCE Print > Journal of Chemical Education > Issues > 1998  > October  > Page 1338


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