Recursive generation of IPR fullerenes
Date
Authors
Goedgebeur, Jan
McKay, Brendan
Journal Title
Journal ISSN
Volume Title
Publisher
Cornell University Press
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.
Description
Keywords
Citation
Collections
Source
arXiv (e-archive for Pre-prints, author submits)
Type
Book Title
Entity type
Access Statement
License Rights
Restricted until
2037-12-31