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Croatica Chemica Acta, Vol. 78 No. 4, 2005

Original scientific paper

On Canonical Numbering of Carbon Atoms in Fullerenes: C60 Buckminsterfullerene

Dejan Plavšić
Damir Vukičević
Milan Randić

Fulltext: english, pdf (115 KB) pages 493-502 downloads: 488* cite
APA 6th Edition
Plavšić, D., Vukičević, D. & Randić, M. (2005). On Canonical Numbering of Carbon Atoms in Fullerenes: C60 Buckminsterfullerene. Croatica Chemica Acta, 78 (4), 493-502. Retrieved from https://hrcak.srce.hr/2536
MLA 8th Edition
Plavšić, Dejan, et al. "On Canonical Numbering of Carbon Atoms in Fullerenes: C60 Buckminsterfullerene." Croatica Chemica Acta, vol. 78, no. 4, 2005, pp. 493-502. https://hrcak.srce.hr/2536. Accessed 22 Mar. 2019.
Chicago 17th Edition
Plavšić, Dejan, Damir Vukičević and Milan Randić. "On Canonical Numbering of Carbon Atoms in Fullerenes: C60 Buckminsterfullerene." Croatica Chemica Acta 78, no. 4 (2005): 493-502. https://hrcak.srce.hr/2536
Harvard
Plavšić, D., Vukičević, D., and Randić, M. (2005). 'On Canonical Numbering of Carbon Atoms in Fullerenes: C60 Buckminsterfullerene', Croatica Chemica Acta, 78(4), pp. 493-502. Available at: https://hrcak.srce.hr/2536 (Accessed 22 March 2019)
Vancouver
Plavšić D, Vukičević D, Randić M. On Canonical Numbering of Carbon Atoms in Fullerenes: C60 Buckminsterfullerene. Croatica Chemica Acta [Internet]. 2005 [cited 2019 March 22];78(4):493-502. Available from: https://hrcak.srce.hr/2536
IEEE
D. Plavšić, D. Vukičević and M. Randić, "On Canonical Numbering of Carbon Atoms in Fullerenes: C60 Buckminsterfullerene", Croatica Chemica Acta, vol.78, no. 4, pp. 493-502, 2005. [Online]. Available: https://hrcak.srce.hr/2536. [Accessed: 22 March 2019]

Abstracts
Numbering of atoms in relatively large molecules, such as fullerenes appears for most part to be arbitrary or based on ad hoc schemes. We argue in favor of the use of a particular canonical labeling of atoms in molecules based on the smallest possible binary molecular code obtained from the adjacency matrix when its rows are read from left to right and from top to bottom. The approach has been illustrated with buckminsterfullerene. We have outlined advantages of the approach and have shown that finding canonical labels is practical even in the case of large regular graphs.

Keywords
fullerenes; buckminsterfullerene; canonical labeling; canonical adjacency matrix

Hrčak ID: 2536

URI
https://hrcak.srce.hr/2536

[croatian]

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