on symmetry of some nano structures
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abstract
it is necessary to generate the automorphism group of a chemical graph in computer-aidedstructure elucidation. an euclidean graph associated with a molecule is defined by a weightedgraph with adjacency matrix m = [dij], where for i≠j, dij is the euclidean distance between thenuclei i and j. in this matrix dii can be taken as zero if all the nuclei are equivalent. otherwise,one may introduce different weights for distinct nuclei. a.t. balaban introduced somemonster graphs and then m. randic computed complexity indices of them (see a.t. balaban,rev. roum. chim. 18(1973) 841-853 and m. randic, croat. chem. acta 74(3)(2001) 683-705). in this paper, we describe a simple method, by means of which it is possible to calculatethe automorphism group of weighted graphs.
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Journal title:
iranian journal of mathematical chemistryPublisher: university of kashan
ISSN 2228-6489
volume 3
issue Supplement 1 2012
Keywords
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