How to enumerate the connectional isomers of a toroidal polyhex fullerene

Journal of Chemical Information and Computer Sciences

Volumn 38, Issue 1, 1998, Pages 66-70

  Kirby, E C ^a   Pollak, P ^b  

^a Resource Use Institute   (United Kingdom)

^b King's School   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SOFTWARE; EIGENVALUES AND EIGENFUNCTIONS; FULLERENES; MOLECULAR STRUCTURE; PERSONAL COMPUTERS;

CONNECTIONAL ISOMERS; MOLECULAR ENERGY CALCULATIONS; TOROIDAL POLYHEX FULLERENE;

ALGORITHMS;

EID: 0031648869     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci970072i     Document Type: Article

References (20)

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2. Liu, X.; Schmaltz, T. G.; Klein, D. J. Reply to comment on "Favourable structures for higher fullerenes". Chem. Phys. Lett. 1992, 192, 331.
3. Manolopoulos, D. E. Comment on "Favourable structures for higher fullerenes". Chem. Phys. Lett. 1992, 192, 330.
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5. Brinkmann, G.; McKay, B. plantri.c V1.0. Internet web page: http: //cs.anu.edu.au/~/bdm. (Further details for this, and of refs 5 and 6, can be obtained from Gunnar Brinkmann and Andreas W. M. Dress at Universität Bielefeld, D-33501 Bielefeld, Germany, or Brendan D. McKay, Australian National University, Canberra, ACT 0200 Australia.)
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9. Note: Here we adopt a relaxed attitude toward the definition of a fullerene by deliberately excluding any stipulation about ring sizes.
10. Kirby, E. C.; Mallion, R. B.; Pollak, P. Toroidal polyhexes. J. Chem. Soc., Faraday Trans. 1993, 89, 1945-1953.
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17. Note: Carbon tori have recently been discovered among laser-grown Single-Wall Nanotube material (ref 18), but it is uncertain whether they are purely hexagonal. Such tori seem to have relatively thin tubes but are probably large enough overall for an all-hexagon structure not to feel unduly strained.
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19. Fowler, P. W. et al (of the University of Exeter, UK), 1996; papers in preparation,
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