Toroidal fullerenes with the Cayley graph structures

<a class="pub-badge pub-badge--doi" href="https://doi.org/10.1016/J.DISC.2011.06.018" rel="nofollow">DOI 10.1016/J.DISC.2011.06.018</a><a class="pub-badge pub-badge--grey" href="https://zbmath.org/1238.05068" rel="nofollow">zbMATH</a><a class="pub-badge pub-badge--grey" href="https://openalex.org/works/W1973659659" rel="nofollow">OpenAlex</a><a class="pub-badge pub-badge--mardi" href="https://portal.mardi4nfdi.de/wiki/Item:Q409345" rel="nofollow">MaRDI QID Q409345</a><a class="pub-badge pub-badge--grey" href="https://fdo.portal.mardi4nfdi.de/fdo/Q409345" rel="nofollow">FDO</a>

Authors Ming-Hsuan Kang

Publication date 13 April 2012

Published in Discrete Mathematics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/0902.1706

zbMATH Keywords

Cayley graphtoroidal graphfullereneHOMO-LUMO gap

Mathematics Subject Classification ID

Applications of graph theory (05C90) Planar graphs; geometric and topological aspects of graph theory (05C10) Graphs and abstract algebra (groups, rings, fields, etc.) (05C25) Structural characterization of families of graphs (05C75) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Abstract: A central issue in molecular orbital theory is to compute the HOMO-LUMO gap of a molecule, which measures the excitability of the molecule. Thus it would be of interest to learn how to construct a molecule with the prescribed HOMO-LUMO gap. In this paper, we classify all possible structures of fullerene Cayley graphs and compute their spectrum. For any natural number $n$ not divisible by three, we show there exists an infinite family of fullerene graphs with the same HOMO-LUMO gap of size $frac2pisqrt3n+O(n^{-2})$. Finally, we discuss how to realize those families in three dimensional space.

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Cites work

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Cited in

(9)

• Cyclical edge-connectivity of fullerene graphs and \((k,6)\)-cages
• Spectra of toroidal graphs
• Cayley sum graphs and eigenvalues of \((3,6)\)-fullerenes
• Hyperbolic analogues of fullerenes on orientable surfaces
• The truncation of a cage graph
• Some algebraic polynomials and topological indices of generalized prism and toroidal polyhex networks
• scientific article; zbMATH DE number 6181074 (Why is no real title available?)
• Total edge irregularity strength of toroidal fullerene
• Eigenvalues of Cayley graphs

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