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Journal of chemical information and computer sciences

Publication date: 2004-01-01
Volume: 44 Pages: 1552 - 1564
Publisher: Amer chemical soc

Author:

Lijnen, Erwin
Ceulemans, Arnout

Keywords:

negative curvature, chemical-structures, carbon, surfaces, genus, Science & Technology, Physical Sciences, Technology, Chemistry, Multidisciplinary, Computer Science, Information Systems, Computer Science, Interdisciplinary Applications, Chemistry, Computer Science, NEGATIVE CURVATURE, CHEMICAL-STRUCTURES, CARBON, SURFACES, GENUS, 0304 Medicinal and Biomolecular Chemistry, 0307 Theoretical and Computational Chemistry, 0802 Computation Theory and Mathematics, Medicinal & Biomolecular Chemistry, 3404 Medicinal and biomolecular chemistry, 3407 Theoretical and computational chemistry

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 Mobius-Kantor graph. Considering the derived 2-cell embeddings as carbon networks leads to some interesting negative curvature carbon allotropes.