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

E Lijnen; A Ceulemans

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

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

Authors

E Lijnen¹, A Ceulemans

Affiliation

¹ Departement Chemie, K.U. Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium. erwin.lijnen@chem.kuleuven.ac.be

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.