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On the vibrational symmetry of nonrigid molecules

โœ Scribed by George Turrell


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
540 KB
Volume
5
Category
Article
ISSN
0022-2860

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Algorithms and computer programs are developed for generating the symmetry elements of nonrigid molecules. These programs are based on the wreath product formalism for the symmetry groups of nonrigid molecules developed by the present author. Several examples are given to illustrate the procedures.

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The symmetry group of a nonrigid molecule is related to that of the transition structure that is related to the rearrangement process which contributes to the ''nonrigidity'' of the molecular system. The resulting permutationrrotationrreflection groups for nonrigid molecules can be much larger in or