The generation of fullerenes

Gunnar Brinkmann; Jan Goedgebeur; Brendan D. McKay

doi:10.1021/ci3003107

The generation of fullerenes

Gunnar Brinkmann, Jan Goedgebeur^*, Brendan D. McKay

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

49 Citations (Scopus)

Abstract

We describe an efficient new algorithm for the generation of fullerenes. Our implementation of this algorithm is more than 3.5 times faster than the previously fastest generator for fullerenes - fullgen - and the first program since fullgen to be useful for more than 100 vertices. We also note a programming error in fullgen that caused problems for 136 or more vertices. We tabulate the numbers of fullerenes and IPR fullerenes up to 400 vertices. We also check up to 316 vertices a conjecture of Barnette that cubic planar graphs with maximum face size 6 are Hamiltonian and verify that the smallest counterexample to the spiral conjecture has 380 vertices.

Original language	English
Pages (from-to)	2910-2918
Number of pages	9
Journal	Journal of Chemical Information and Modeling
Volume	52
Issue number	11
DOIs	https://doi.org/10.1021/ci3003107
Publication status	Published - 26 Nov 2012

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The generation of fullerenes

Abstract

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