CaGe - A virtual environment for studying some special classes of plane graphs - An update

Match

Volumn 63, Issue 3, 2010, Pages 533-552

  Brinkmann, Gunnar ^a   Friedrichs, Olaf Delgado ^b   Lisken, Sebastian ^c   Peeters, Adriaan ^a   Van Cleemput, Nicolas ^a  

^a GHENT UNIVERSITY   (Belgium)

^b AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^c NONE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77953272486     PISSN: 03406253     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (22)

1. G. Brinkmann, O. Delgado Friedrichs, A. Dress, T. Harmuth, CaGe - a virtual environment for studying some special classes of large molecules, MATCH Commun. Math. Comput. Chem. 36 (1997) 233-237.
2. S. Schein, T. Priedrich. A geometric constraint, the head-to-tail exclusion rule, maybe the basis for the isolated-pentagon rule in fullerenes with more than 60 vertices, Prvc. Natl. Acad. Sct. USA 105 (2008) 19142-19147.
3. H. Zettergren, G. Sanchez, S. Diaz-Tendero, M. Alcami, F. Martin, Theoretical study of the stability of multiply charged c-70 fullerenes, J. Chem. Phys. 127 (2007) 104308.
4. P. W. Fowler, P. Hansen, D. Stevanović, A note on the smallest eigenvalue of fullerenes, MATCH Commun. Math. Comput. Chem. 48 (2003) 37-48.
5. Homepages of CaGe: http://wwv. mathematik.uni-bielefeld.de/-CaGe/http:// caagt.ugent.be/CaGe/.
6. G. Brinkmann, A. W. M. Dress, A constructive enumeration of fullerenes, J. Algorithms 23 (1997) 345-358.
7. T. Harmuth, The Construction of Cubic Maps on Orientable Surfaces. PhD thesis, Universität Bielefeld (2000).
8. G. Brinkmann, O. Heidemeier, T. Harmuth, The construction of cubic and quartic planar maps with prescribed face degrees, Discr. Appl. Math. 128 (2003) 541-554.
9. G. Brinkmann, B. D. McKay, U. von Nathusius, Backtrack search and look-ahead for the construction of planar cubic graphs with restricted face sizes, MATCH Commun. Math. Comput. Chetn. 48 (2003) 163-177.
10. G. Brinkmann, B. D. McKay, Fast generation of planar graphs, MATCH Commun. Math. Comput. Chem. 58 (2007) 323-357; see http://cs.anu.edu.au-/ "bdm/index.html.
11. S. Funke, Erzeugung dreizusammenhängender Quadrangulierungen mit eingeschränkten Knotengraden, Master's thesis, Universität Bielefeld (2004).
12. J. Bornhöft, G. Brinkmann, J. Greinus, Pentagon-hexagon-patches with short boundaries, Eur. J. Combin. 24 (2003) 517-529.
13. G. Brinkmann, B. Coppens, An efficient algorithm for the generation of planar polycyclic hydrocarbons with a given boundary, MATCH Commun. Math. Comput. Chem. 62 (2009) 209-220.
14. F. Harary, H. Harborth, Extremal animals, J. Comb. Inf. Syst. Sci. 1 (1976) 1-8.
15. G. Brinkmann, G. Caporossi, P. Hansen, A constructive enumeration of fusenes and benzenoids, J. Algorithms 45 (2002) 155-166.
16. G. Brinkmann, C. Grothaus, I. Gutman, Fusenes and benzenoids with perfect matchings, J. Math. Chem. 42 (2007) 909-924.
17. M. S. Dresselhaus, G. Dresselhaus, P. C. Eklund, Science of Fullerenes and Carbon Nanotubes, Academic Press, 1996.
18. D. J. Klein, Topo-combinatoric categorization of quasi-local graphitic defects, Phys. Chem. Chem. Phys. 4 (2002) 2099-2110.
19. G. Brinkmann, N. Van Cleemput, Classification and generation of nanocones, manuscript.
20. O. Delgado Friedrichs, Fast embeddings for planar molecular graphs, in: P. Hansen, P. Fowler, M. Zheng (Eds.), Discrete Mathematical Chemistry, Am. Math. Soc, Providence (2000), pp. 85-95.
21. Homepage of rasmol and openrasmol:. http://rasmol.org/.
22. Jmol: an open-source Java viewer for chemical structures in 3d; http://jmol.sourceforge.net/.