Recursive generation of IPR fullerenes

DOI10.1007/s10910-015-0513-7zbMath1331.92167arXiv1501.02680OpenAlexW1825635583MaRDI QIDQ498482

Brendan D. McKay, Jan Goedgebeur

Publication date: 28 September 2015

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

Full work available at URL: https://arxiv.org/abs/1501.02680

zbMATH Keywords

recursive constructioncomputationfullerene patchIPR fullerenenanotube cap

Mathematics Subject Classification ID

Applications of graph theory (05C90) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (4)

Reducing an arbitrary fullerene to the dodecahedron ⋮ Exact square coloring of subcubic planar graphs ⋮ On correlation of hyperbolic volumes of fullerenes with their properties ⋮ Constructions of families of three-dimensional polytopes, characteristic patches of fullerenes, and Pogorelov polytopes

Uses Software

• House of Graphs
• plantri
• CaGe
• Buckygen

Cites Work

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• The boundary and the shape of binary images
• Numbers of faces in disordered patches
• Pentagon-hexagon-patches with short boundaries
• Boundary uniqueness of fusenes
• House of Graphs: a database of interesting graphs
• Isomorph-Free Exhaustive Generation
• Fullerenes with distant pentagons
• The Generation of Fullerenes
• A constructive enumeration of nanotube caps

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