Topological lattice descriptors of graphene sheets with fullerene-like nanostructures

Molecular Simulation

Volumn 36, Issue 5, 2010, Pages 341-353

  Cataldo, Franco ^a,b   Ori, Ottorino ^a,b   Iglesias Groth, Susana ^c  

^a INAF OSSERVATORIO ASTROFISICO DI CATANIA   (Italy)

^b Actinium Chemical Research   (Italy)

^c INSTITUTO DE ASTROFÍSICA DE CANARIAS   (Spain)

Author keywords

Carbon black; Carbon nanostructure; Fullerenes; Topological Wiener index

Indexed keywords

CARBON NANOSTRUCTURE; CHEMICAL GRAPHS; DESCRIPTORS; FULLERENE FRAGMENT; FULLERENE-LIKE NANOSTRUCTURES; GENERALISATION; GRAPHENE SHEETS; GRAPHITE LATTICES; INFINITE LATTICES; MINIMUM PRINCIPLES; NANO-CONES; PENTAGONAL RINGS; TOPOLOGICAL ANALYSIS; TOPOLOGICAL SPACES; TOPOLOGICAL STRUCTURE; WIENER INDEX;

CARBON BLACK; CHEMICAL STABILITY; FULLERENES; GRAPHITE; INDICATORS (CHEMICAL); STRUCTURAL OPTIMIZATION;

TOPOLOGY;

EID: 77951431994     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020903483262     Document Type: Article

References (26)

1. F. Cataldo, Role of fullerene-like structures in carbon black and their interaction with dienic Rubber, Fullerene Sci. Technol. 8 (2000), pp. 105-112. (Pubitemid 30589595)
2. F. Cataldo, The impact of fullerene-like concept in carbon black science, Carbon 40 (2002), pp. 157-162. (Pubitemid 33143336)
3. M. Pontier-Johnson, R.W. Locke, J.B. Donnet, T.K. Wang, C.C. Wang, and P. Bertrand, Carbon black and fullerenes: New discoveries in early formation mechanisms and nucleation, Rubber Chem. Technol. 73 (2000), pp. 875-888. (Pubitemid 33092747)
4. W.J. Grieco, J.B. Howard, L.C. Rainey, and J.B. Van der Sande, Fullerenic carbon in combustion-generated soot, Carbon 38 (2000), pp. 597-614.
5. K.H. Homan, Fullerenes and soot formation. New pathways to large particles in flame, Angew. Chem. Int. Ed. 37 (1998), pp. 2434-2451.
6. J.Y. Huang, H. Yasuda, and H. Mori, Highly curved carbon nanostructures produced by ball milling, Chem. Phys. Lett. 303 (1999), pp. 130-134. (Pubitemid 129556259)
7. R.E. Nightingale, Nuclear Graphite, Academic Press, New York, 1962.
8. F. Cataldo, Raman spectra on radiation-damaged graphite, Carbon 38 (2000), pp. 634-636.
9. F. Cataldo, Fullerene-like structures as interaction sites between rubber and carbon black, Macromol. Symp. 228 (2005), pp. 91-98. (Pubitemid 41386509)
10. F. Cataldo and M. Pontier-Johnson, Recent discoveries in carbon black formation and morphology and their implications on the structure of the interstellar carbon dust, Fullerenes Nanot. Carbon Nanostruct. 10 (2002), pp. 1-14. (Pubitemid 35434076)
11. F. Cataldo, The possible role of fullerene-like structures present on the surface of the interstellar carbon dust in the formation of H2 in space, Fullerenes Nanot. Carbon Nanostruct. 11 (2003), pp. 317-331.
12. F. Cataldo, Fullerane, the hydrogenated C60 fullerene: Properties and astrochemical considerations, Fullerenes Nanot. Carbon Nanostruct. 11 (2003), pp. 295-316.
13. H. Wiener, Structure determination of paraffin boiling points, J. Am. Chem. Soc. 69 (1947), pp. 17-20.
14. H. Hosoya, Topological index. A newly proposed quantity characterizing the topological nature of structural isomers of saturated hydrocarbons, Bull. Chem. Soc. Jpn 44 (1971), pp. 2332-2339.
15. E. Estrada, O. Ivanciuc, I. Gutman, A. Gutierrez, and L. Rodriguez, Extended Wiener indices. A new set of descriptors for quantitative structure-property studies, New J. Chem. 20 (1998), pp. 819-822. (Pubitemid 128701958)
16. W.G. Yan and Y.N. Yeh, Connections between Wiener index and matchings, J. Math. Chem. 39 (2) (2006), pp. 389-399.
17. E.A. Castro, I. Gutman, D. Marino, and P. Peruzzoa, Upgrading the Wiener index, J. Serb. Chem. Soc. 67 (10) (2002), pp. 647-651.
18. R. Todeschini and V. Consonni, Handbook of Molecular Descriptors, Wiley-VCH, Weinheim, 2000.
19. D. Bonchev and O. Mekenyan, A topological approach to the calculation of the P-electron energy and energy gap of infinite conjugated polymers, Z. Naturforsch. 35a (1980), pp. 739-747.
20. O. Ori and M. D'Mello, A topological study of the structure of the C76 fullerene, Chem. Phys. Lett. 197 (1-2) (1992), pp. 49-54.
21. O. Ori and M. D'Mello, Analysis of the structure of the C78 fullerene: A topological approach, Appl. Phys. A Solids Surfaces 56 (1) (1993), pp. 35-39.
22. K. Balasubramanian, Distance spectra and distance polynomials of fullerenes, J. Phys. Chem. 99 (1995), pp. 10785-10796.
23. A.A. Dobrynin, I. Gutman, S. Klavžar, and P. Ž igert, Wiener index of hexagonal systems, Acta Appl. Math. 72 (3) (2002), pp. 247-294. (Pubitemid 34854723)
24. P. Fowler, Resistance distances in fullerene graphs, Croat. Chem. Acta 75 (2) (2002), pp. 401-408.
25. Z. Slanina, M.C. Chao, S.L. Lee, and I. Gutman, On applicability of the Wiener index to estimate relative stabilities of the higherfullerene IPR isomers, J. Serb. Chem. Soc. 62 (1997), pp. 211-217. (Pubitemid 127388111)
26. O. Ori and P. Marenzoni, Parallel computation of the matrix of the chemical distances on the connection machine, Mol. Sim. 11 (1993), pp. 365-372.