Enumeration of conjugated circuits in nanotubes

I. Lukovits, Dušanka Janežič

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

The resonance energy of (1,1)n "armchair" carbon nanotubes and (n,n)1 nanoribbons was determined by enumerating the conjugated circuits (CC) and the Kekule structures. The lower indices denote the number of hexagon layers. It was found that the resonance energy per carbon atom is equal to 0.160 eV in (1,1)n tubes and 0.142 eV in (n,n)1 tubes.

Original languageEnglish
Pages (from-to)410-414
Number of pages5
JournalJournal of Chemical Information and Computer Sciences
Volume44
Issue number2
Publication statusPublished - Mar 2004

Fingerprint

Carbon Nanotubes
Nanotubes
energy
Nanoribbons
Networks (circuits)
Carbon nanotubes
Carbon
Atoms

ASJC Scopus subject areas

  • Chemistry(all)
  • Information Systems
  • Computer Science Applications
  • Computational Theory and Mathematics

Cite this

Enumeration of conjugated circuits in nanotubes. / Lukovits, I.; Janežič, Dušanka.

In: Journal of Chemical Information and Computer Sciences, Vol. 44, No. 2, 03.2004, p. 410-414.

Research output: Contribution to journalArticle

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