It is necessary to generate the automorphism group of a chemical graph in computer-aided structure elucidation. An Euclidean graph associated with a molecule is defined by a weighted graph with adjacency matrix M = [dij], where for i≠j, dij is the Euclidean distance between the nuclei 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 some monster 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 calculate the automorphism group of weighted graphs.
Proceedings of the First Iranian Conference on Chemical Graph Theory, Shahid Rajaee Teacher Training University, Tehran, October 6 - 7, 2010 (Ed. M. Ghorbani)
GHORBANI, M., ZAEEMBASHI, A., SHAHREZAEI, M., & TABATABAEI ADNANI, A. (2012). On Symmetry of Some Nano Structures. Iranian Journal of Mathematical Chemistry, 3(Supplement 1), 29-36. doi: 10.22052/ijmc.2012.5272
MLA
M. GHORBANI; A. ZAEEMBASHI; M. SHAHREZAEI; A. TABATABAEI ADNANI. "On Symmetry of Some Nano Structures". Iranian Journal of Mathematical Chemistry, 3, Supplement 1, 2012, 29-36. doi: 10.22052/ijmc.2012.5272
HARVARD
GHORBANI, M., ZAEEMBASHI, A., SHAHREZAEI, M., TABATABAEI ADNANI, A. (2012). 'On Symmetry of Some Nano Structures', Iranian Journal of Mathematical Chemistry, 3(Supplement 1), pp. 29-36. doi: 10.22052/ijmc.2012.5272
VANCOUVER
GHORBANI, M., ZAEEMBASHI, A., SHAHREZAEI, M., TABATABAEI ADNANI, A. On Symmetry of Some Nano Structures. Iranian Journal of Mathematical Chemistry, 2012; 3(Supplement 1): 29-36. doi: 10.22052/ijmc.2012.5272
)