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D. SALMANI1, A. TAATIAN1, M. FAGHANI2, M. GHORBANI3,*
Suppose M is a molecule and G is its molecular graph with atoms labeled by numbers 1, 2, … n. Define the adjacency matrix A = [aij] of G to be a 0-1 matrix with this property that aij = 1 if and only if the there is a bond connecting atoms i and j. An Euclidean graph associated to M is defined by a weighted graph with the adjacency matrix D = [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. In this work a simple method is described, by means of which it is possible to calculate the automorphism group of weighted graphs. We apply this method to compute the symmetry of the fullerenes molecule C84.
Topological symmetry, C84 fullerene.
D. SALMANI, A. TAATIAN, M. FAGHANI, M. GHORBANI, Computing symmetry of fullerene molecule C84, Optoelectronics and Advanced Materials - Rapid Communications, 4, 9, September 2010, pp.1423-1426 (2010).
Submitted at: July 22, 2010
Accepted at: Sept. 15, 2010
Optoelectronics and Advanced Materials - Rapid Communications
(2023): 0.5 - 2023 Journal Citation Reports (Clarivate Analytics, 2024)
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