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    STUDIA CHEMIA - Issue no. 3 / 2014  

  Abstract:   Topological symmetry is referred to the maximum possible symmetry achievable by a given molecular structure; it can be performed either by permutations on the adjacency matrix or by calculating the values of some topological indices. The equivalence classes of vertices/atoms of the multi-shell nanostructures under study were solved by using a topological index computed on the layer matrix of atom surrounding rings and compared with the results of matrix permutation. A centrality order of vertices in multi-shell clusters is given. The design of nanostructures was performed by map operations as implemented in our original CVNET and Nano Studio software programs.

Keywords: Multi-shell cage, centrality index, vertex equivalence class, automorphism.
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