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The symmetry groups of nonrigid crystals

✍ Scribed by A. G. Zhilich; A. A. Kiselev; V. P. Smirnov

Publisher
SP MAIK Nauka/Interperiodica
Year
1984
Tongue
English
Weight
812 KB
Volume
24
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES

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## Abstract Special methods of nuclei labelling and of permutation‐inversion symmetry element description in nonrigid molecular crystals are suggested. These methods allow to obtain in a general form the transformation properties of coordinates (vibrational, rotational, and electronic) with respect

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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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## Abstract Starting from the concept of a totally flexible molecule, rigidity is introduced by restricting progressively the allowed permutations. Each nonrigid isomer is then characterized by its Longuet‐Higgins group β„’ of allowed permutation inversions. For a given β„’ all nonrigidity types corres