Spectral clustering of combinatorial fullerene isomers based on their facet graph structure

DOI10.1007/s10910-020-01193-4zbMath1466.92245arXiv1910.00846OpenAlexW2977256489MaRDI QIDQ830874

Artur Bille, Evgueni Spodarev, Victor M. Buchstaber

Publication date: 10 May 2021

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1910.00846

zbMATH Keywords

eigenvalueconvex polytopeadjacency matrixfullerenedual graph\(C_{60}\)combinatorial isomerfacet spectrum

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Chemical graph theory (05C92)

Uses Software

• Matlab
• House of Graphs
• Fullerene

Cites Work

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• Spectra of graphs
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• Valency-based topological descriptors of chemical networks and their applications
• Mathematical aspects of fullerenes
• Convex Polytopes
• FULLERENES, POLYTOPES AND TORIC TOPOLOGY
• The largest eigenvalue of a graph: A survey
• On the growth rate of the number of fullerenes
• Can One Hear the Shape of a Drum?
• Graphs and matrices

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