科研之友
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摘要
Suppose M is a molecule, G is its molecular graph and A = [a(ij)] is the adjacency matrix of G. An Euclidean graph associated to M is defined by a weighted graph with the adjacency matrix D = [d(ij)], where for i not equal j d(ij) is the Euclidean distance between the nuclei i and j. In this matrix d(ii) can be taken as zero if all the nuclei are equivalent. Otherwise, one may introduce different weights for different nuclei. 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 some fullerenes.
- 出版日期2010-4
