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Recursive generation of IPR fullerenes

(2015) JOURNAL OF MATHEMATICAL CHEMISTRY. 53(8). p.1702-1724
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HPC-UGent: the central High Performance Computing infrastructure of Ghent University
Abstract
We describe a new construction algorithm for the recursive generation of all non-isomorphic IPR fullerenes. Unlike previous algorithms, the new algorithm stays entirely within the class of IPR fullerenes, that is: every IPR fullerene is constructed by expanding a smaller IPR fullerene unless it belongs to a limited class of irreducible IPR fullerenes that can easily be made separately. The class of irreducible IPR fullerenes consists of 36 fullerenes with up to 112 vertices and 4 infinite families of nanotube fullerenes. Our implementation of this algorithm is faster than other generators for IPR fullerenes and we used it to compute all IPR fullerenes up to 400 vertices.
Keywords
CONSTRUCTIVE ENUMERATION, EXHAUSTIVE GENERATION, Recursive construction, Computation, Fullerene patch, Nanotube cap, IPR fullerene, GRAPHS, PATCHES, CAGE

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Citation

Please use this url to cite or link to this publication:

Chicago
Goedgebeur, Jan, and Brendan D Mckay. 2015. “Recursive Generation of IPR Fullerenes.” Journal of Mathematical Chemistry 53 (8): 1702–1724.
APA
Goedgebeur, J., & Mckay, B. D. (2015). Recursive generation of IPR fullerenes. JOURNAL OF MATHEMATICAL CHEMISTRY, 53(8), 1702–1724.
Vancouver
1.
Goedgebeur J, Mckay BD. Recursive generation of IPR fullerenes. JOURNAL OF MATHEMATICAL CHEMISTRY. 2015;53(8):1702–24.
MLA
Goedgebeur, Jan, and Brendan D Mckay. “Recursive Generation of IPR Fullerenes.” JOURNAL OF MATHEMATICAL CHEMISTRY 53.8 (2015): 1702–1724. Print.
@article{6922538,
  abstract     = {We describe a new construction algorithm for the recursive generation of all non-isomorphic IPR fullerenes. Unlike previous algorithms, the new algorithm stays entirely within the class of IPR fullerenes, that is: every IPR fullerene is constructed by expanding a smaller IPR fullerene unless it belongs to a limited class of irreducible IPR fullerenes that can easily be made separately. The class of irreducible IPR fullerenes consists of 36 fullerenes with up to 112 vertices and 4 infinite families of nanotube fullerenes. Our implementation of this algorithm is faster than other generators for IPR fullerenes and we used it to compute all IPR fullerenes up to 400 vertices.},
  author       = {Goedgebeur, Jan and Mckay, Brendan D},
  issn         = {0259-9791},
  journal      = {JOURNAL OF MATHEMATICAL CHEMISTRY},
  language     = {eng},
  number       = {8},
  pages        = {1702--1724},
  title        = {Recursive generation of IPR fullerenes},
  url          = {http://dx.doi.org/10.1007/s10910-015-0513-7},
  volume       = {53},
  year         = {2015},
}

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