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J Chem Inf Comput Sci. 2004 Sep-Oct;44(5):1552-64. doi: 10.1021/ci049865c.

Oriented 2-cell embeddings of a graph and their symmetry classification: generating algorithms and case study of the möbius-kantor graph.

Journal of chemical information and computer sciences

E Lijnen, A Ceulemans

Affiliations

  1. Departement Chemie, K.U. Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium. [email protected]

PMID: 15446812 DOI: 10.1021/ci049865c

Abstract

We discuss a method to derive all symmetry-distinct oriented 2-cell embeddings of a given graph and classify them based on their symmetry. As an example, we apply the algorithm to the highly symmetrical trivalent Möbius-Kantor graph. Considering the derived 2-cell embeddings as carbon networks leads to some interesting negative curvature carbon allotropes.

Copyright 2004 American Chemical Society

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