Structural and electronic properties of new α-graphyne-based carbon fullerenes

Journal of Molecular Structure: THEOCHEM

Volumn 684, Issue 1-3, 2004, Pages 29-33

  Enyashin, A N ^a   Sofronov, A A ^a   Makurin, Y N ^a   Ivanovskii, A L ^b  

^a URAL FEDERAL UNIVERSITY   (Russian Federation)

^b INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

Chemical bonding; Electronic properties; Graphyne like fullerenes C80, C240; Structure

Indexed keywords

CARBON; FULLERENE DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; ELECTRONICS; ENERGY;

EID: 5444246474     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.04.049     Document Type: Article

References (24)

1. Kroto H.W., Heath J.R., O'Brien S.C., Curl R.F., Smalley R.E. Nature (London). 318:1985;162
2. Iijima S. Nature (London). 354:1991;56
3. Kroto H.W., Walton D.R.M. The Fullerenes. 1993;Cambridge University Press, Cambridge
4. Harris P.J.F. Carbon Nanotubes and Related Structures: New Materials for the Twenty-first Century. 1999;Cambridge University Press, Cambridge
5. Crespi V.H., Benedicht L.X., Cohen M.L., Louie S.G. Phys. Rev. B53:1996;R13303
6. Terrones H., Terrones M., Hernández E., Grobert N., Charlier J.C., Ajayan P.M. Phys. Rev. Lett. 84:2000;1716
7. Deza M., Fowler P.W., Shtogrin M., Vietze K. J. Chem. Inf. Comput. Sci. 40:2000;1325
8. Baughman R.H., Eckhardt H., Kertesz M. J. Chem. Phys. 87:1987;6687
9. Narita N., Nagai S., Suzuki S., Nakao K. Phys. Rev. B58:1998;11009
10. Narita N., Nagai S., Suzuki S., Nakao K. Phys. Rev. B62:2000;11146
11. Haley M.M., Brand S.C., Pak J.J. Angew. Chem. 36:1997;836
12. Kehoe J.M., Kiley J.H., English J.J., Johnson C.A., Petersen R.C., Haley M.M. Org. Lett. 2:2000;969
13. Crespi V., Cohen M.L., Rubio A. Phys. Rev. Lett. 79:1997;2093
14. Lambin P., Mark G.I., Biro L.P. Phys. Rev. 67:2003;205413
15. Coluchi V.R., Braga S.F., Legoas S.B., Galvao D.S., Baughman R.H. Phys. Rev. B68:2003;035430
16. Prinzbach H., Weiler A., Landenberger P., Wahl F., Worth J., Scott L.T., Gelmont M. Nature (London). 407:2000;60
17. Saito M., Miyamoto Y. Phys. Rev. Lett. 87:2001;035503
18. http://www.msg.ameslab.gov/GAMESS/GAMESS.html.
19. Baerends T.J., Ellis D.E., Ros P.P. Chem. Phys. 5:1973;41
20. Press M.R., Ellis D.E. Phys. Rev. B35:1987;4438
21. Gunnarsson O., Lundqvist B.I. Phys. Rev. B13:1976;4274
22. Nakao K., Kurita N., Fujita M. Phys. Rev. B49:1994;11415
23. Soncini A., Fowler P.W., Cernuzak I., Steiner E. Phys. Chem. Chem. Phys. 3:2001;3920
24. Ivanovskaya V.V., Enyashin A.N., Makurin Y.N., Ivanovskii A.L. Doklady RAS. Phys. Chem. 2004;. in press