Computing the clar number of nanotubes and other fullerenes

Document Type : Original Article

Authors

1 Mathematics, Sciences Universidad Nacional de Colombia Bogota

2 Mathematics, Sciences, Universidad Nacional de Colombia, Bogota, Colombia

Abstract

We exhibit a polynomial time algorithm that computes the Clar number of any nanotube. This algorithm can be easily extended to one that computes the Clar number of fullerene whose pentagon-clusters are all of even size.

It is known that computing the Clar number of planar graphs is NP-hard. It is not known if computing the Clar number of fullerenes is a tractable problem. We show that the latter problem can be suitably approximated in polynomial time, and we also discuss the existence of fpt-algorithms for this important problem of Cheminformatics.

Graphical Abstract

Computing the clar number of nanotubes and other fullerenes

Keywords

Main Subjects


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Volume 7, Issue 4
December 2022
Pages 201-213
  • Receive Date: 23 October 2022
  • Revise Date: 10 November 2022
  • Accept Date: 22 November 2022
  • Publish Date: 01 December 2022