Antiaromatic holes in graphene and related graphite defects

Molecular Physics

Volumn 107, Issue 1, 2009, Pages 71-80

  Dias, Jerry Ray ^a   Aihara, Jun Ichi ^b  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

^b SHIZUOKA UNIVERSITY   (Japan)

Author keywords

Circumscribing; Coronoid and circulene hydrocarbons; Graphene defects; MO calculations; Polycyclic hydrocarbons; Topological resonance energy

Indexed keywords

DEFECTS; GRAPHITE; RESONANCE;

CIRCUMSCRIBING; CORONOID AND CIRCULENE HYDROCARBONS; GRAPHENE DEFECTS; MO CALCULATIONS; POLYCYCLIC HYDROCARBONS; TOPOLOGICAL RESONANCE ENERGY;

HYDROCARBONS;

EID: 61349096611     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970902724948     Document Type: Article

References (29)

1. J. Aihara, J. Phys. Chem. A 112, 4382 (2008).
2. J. Wu, W. Pisula, and K. Müllen, Chem. Rev. 107, 718 (2007).
3. F. Dietz, N. Tyutyukov, G. Madjarova, and K. Müllen, J. Phys. Chem. B 104, 1746 (2000);
4. F. Dietz and N. Tyutyukov, Chem Phys. Lett. 246, 255 (1999);
5. N. Tyutyukov, G., Madjarova, F., Dietz, and K., Müllen, J. Phys. Chem. B 102, 10183 (1998).
6. J.R. Dias, J. Phys. Chem. A 112, 12281 (2008).
7. J.R. Dias, Molecular Orbital Calculations Using Chemical Graph Theory (Springer, Berlin, 1993), pp. 14-15, 29-30.
8. B.J. McClelland, J. Chem. Soe., Faraday Trans. 2 70, 1453 (1974);
9. J. Chem. Soc., Faraday Trans. 2 78, 911 (1982);
10. Mol. Phys. 45, 189 (1982);
11. G.G. Hall, Inst. Math. Appl. 17, 70 (1981);
12. G.G. Hall, Trans. Faraday Soc. 53, 573 (1957).
13. J. Aihara, J. Am. Chem. Soc. 114, 865 (1992);
14. J. Aihara, J. Chem. Soc., Faraday Trans. 91, 237 (1995).
15. N.C. Baird, J. Am. Chem. Soc. 94, 4941 (1972);
16. V. Goronea, P.v.R. Schleyer, and P.R. Schreiner, Angew. Chem. Int. Ed. 37, 1945 (1998);
17. P.B. Karadakov, J. Phys. Chem. A 112, 7303 (2008).
18. D.J. Klein, J. Chem. Phys. 77, 3098 (1982);
19. D.J. Klein, C.J. Nelin, S. Alexander, and F.A. Matsen, J. Chem. Phys. 77, 3101 (1982).
20. D.J. Klein, Phys. Chem. Chem. Phys. 4, 2099 (2002).
21. J.R. Dias, Carbon 22, 107 (1984).
22. J. Dias, Chem. Phys. Lett. 185, 10 (1991).
23. H. Christoph, J. Grunenberg, H. Hopf, I. Dix, P.G. Jones, M. Scholtissek, and G. Maier, Chem Eur. J. 14, 5604 (2008).
24. A.T. Balaban, D.J. Klein, and X. Liu, Carbon 32, 357 (1994).
25. J.R. Dias, J. Math. Chem. 44, 711 (2008);
26. G. Brinkmann, C. Grothaus, and I. Gutman, J. Math. Chem. 42, 909, (2007), and personal communication.
27. A.D. McLachian, Mol. Phys. 2, 269 (1959);
28. A.D. McLachian, Mol. Phys. 4, 49 (1961);
29. J. Koutecky, J. Chem. Phys. 44, 3702 (1966).