The generation of fullerenes

Journal of Chemical Information and Modeling

Volumn 52, Issue 11, 2012, Pages 2910-2918

  Brinkmann, Gunnar ^a   Goedgebeur, Jan ^a   McKay, Brendan D ^b  

^a GHENT UNIVERSITY   (Belgium)

^b AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

FULLERENES;

CUBIC PLANAR GRAPHS; IPR FULLERENES; PROGRAMMING ERRORS;

GRAPH THEORY;

EID: 84870010323     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci3003107     Document Type: Article

References (21)

1. Schmalz, T. G.; Seitz, W. A.; Klein, D. J.; Hite, G. E. Elemental carbon cages J. Am. Chem. Soc. 1988, 110 (4) 1113-1127
2. Albertazzi, E.; Domene, C.; Fowler, P. W.; Heine, T.; Seifert, T.; Van Alsenoy, C.; Zerbetto, F. Pentagon adjacency as a determinant of fullerene stability Phys. Chem. Chem. Phys. 1999, 1, 2913-2918
3. 60: Buckminsterfullerene Nature 1985, 318, 162-163
4. 70 Chem. Phys. Lett. 1991, 181, 105-111
5. Manolopoulos, D. E.; Fowler, P. W. A fullerene without a spiral Chem. Phys. Lett. 1993, 204, 1-7
6. Brinkmann, G.; Goedgebeur, J.; McKay, B. D. The smallest fullerene without a spiral Chem. Phys. Lett. 2012, 522, 54-55
7. Manolopoulos, D. E.; Fowler, P. W. Molecular graphs, point groups, and fullerenes J. Chem. Phys. 1992, 96, 7603-7614
8. Yoshida, M.; Osawa, E. Formalized drawing of fullerene nets. 1. Algorithm and exhaustive generation of isomeric structures Bull. Chem. Soc. Jpn. 1995, 68, 2073-2081
9. Liu, X.; Klein, D. J.; Schmalz, T. G.; Seitz, W. A. Generation of carbon cage polyhedra J. Comput. Chem. 1991, 12, 1252-1259
10. Sah, C. H. Combinatorial construction of fullerene structures Croat. Chem. Acta. 1993, 66, 1-12
11. Brinkmann, G.; Dress, A. W. M. A constructive enumeration of fullerenes J. Algorithms 1997, 23, 345-358 (Pubitemid 127450892)
12. Brinkmann, G.; Franceus, D.; Fowler, P. W.; Graver, J. E. Growing fullerenes from seed: Growth transformations of fullerene polyhedra Chem. Phys. Lett. 2006, 428, 386-393 (Pubitemid 44301077)
13. Hasheminezhad, M.; Fleischner, H.; McKay, B. D. A universal set of growth operations for fullerenes Chem. Phys. Lett. 2008, 464, 118-121
14. Brinkmann, G.; Graver, J. E.; Justus, C. Numbers of faces in disordered patches J. Math. Chem. 2009, 45, 263-278
15. McKay, B. D. Isomorph-free exhaustive generation J. Algorithms 1998, 26, 306-324 (Pubitemid 128638721)
16. Brinkmann, G.; McKay, B. D. Fast generation of planar graphs MATCH 2007, 58, 323-357
17. Bornhöft, J.; Brinkmann, G.; Greinus, J. Phexagon-patches with short boundaries Eur. J. Combin. 2003, 24, 517-529
18. Kardoš, F.; Škrekovski, R. Cyclic edge-cuts in fullerene graphs J. Math. Chem. 2008, 44, 121-132
19. Brinkmann, G.; McKay, B. D.; von Nathusius, U. Backtrack search and look-ahead for the construction of planar cubic graphs with restricted face sizes MATCH 2003, 48, 163-177 (Pubitemid 37315412)
20. Brinkmann, G.; Goedgebeur, J.; McKay, B. D. Homepage of buckygen. http://caagt.ugent.be/buckygen/ (accessed September 7, 2012).
21. Brinkmann, G.; Delgado Friedrichs, O.; Lisken, S.; Peeters, A.; Van Cleemput, N. CaGe-a Virtual Environment for Studying Some Special Classes of Plane Graphs-an Update. MATCH 2010, 63, 533-552. Available at http://caagt.ugent.be/CaGe (accessed September 7, 2012).