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Graph theoretical perception of molecular symmetry

✍ Scribed by K. Balasubramanian

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
468 KB
Volume
232
Category
Article
ISSN
0009-2614

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✦ Synopsis

It is shown that the molecular symmetry groups can be obtained as the automorphism groups of edge-weighted Euclidean graphs. Graph theory provides an elegant and natural representation of molecular symmetry. The resulting group expressed in terms of permutations is isomorphic to the permutation-inversion group of Longuet-Higgins or the permutational subgroup in case inversion operations do not generate new permutations.

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## Abstract Paths of length two and three appear to dominate variations in isomers of alkanes when various physical and chemical molecular properties are compared. The regularities previously observed for octanes have been fully examined for the set of 35 nonane isomers C~9~H~20~. Such examinations