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  Home > JCE Print > Journal of Chemical Education > Issues > 1996  > November  >
Research: Science and Education
The Potential Energy Surface of ClF3
Jeffrey J. Lehman and Elisheva Goldstein
Department of Chemistry, California State Polytechnic University - Pomona, 3801 W. Temple Ave., Pomona, CA 91768
Cover
November 1996
Vol. 73 No. 11
p. 1096
Abstract
In developing new projects for the senior level computational chemistry class, ClF3 and its various isomers provide a vehicle for the study of the potential energy surface using ab initio methods complemented by group theory techniques. ClF3 provides an excellent example for upper division chemistry students in tems of understanding and examining the potential energy surface. There are two fundamental steps in describing construction of a theoretical surface. The first involves accurate calculation of all points. The second questions whether the calculated points define a unique surface.
More Information
*  Citation
 Lehman, Jeffrey J.; Goldstein, Elisheva. J. Chem. Educ. 1996 73 1096.
*  Keywords
 Physical Chemistry
*  History
 Created:
Last Updated:		 August 5, 1999
February 21, 2006
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