Continuous symmetry measures: A note in proof of the folding/unfolding method

Citation
Y. Salomon et D. Avnir, Continuous symmetry measures: A note in proof of the folding/unfolding method, J MATH CHEM, 25(2-3), 1999, pp. 295-308
Citations number
23
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF MATHEMATICAL CHEMISTRY
ISSN journal
02599791 → ACNP
Volume
25
Issue
2-3
Year of publication
1999
Pages
295 - 308
Database
ISI
SICI code
0259-9791(1999)25:2-3<295:CSMANI>2.0.ZU;2-#
Abstract
The measurement of the degree of symmetry proved to be a useful tool in the prediction of quantitative structural-physical correlations. These measure ments have been based, in the most general form, on the folding/unfolding a lgorithm, for which we provide here a new and simpler proof. We generalize this proof to the case of objects composed of more than one (full) orbit. A n important practical issue we consider is the division of the graph into s ymmetry orbits and the mapping of the symmetry group elements onto the poin ts of the graph. The logical constraints imposed by the edges of the graph are reviewed and used for the successful resolution of the coupling between different orbits.