Energetics of fullerenes with four-membered rings

Journal of Physical Chemistry

Volumn 100, Issue 17, 1996, Pages 6984-6991

  Fowler, P W ^a   Heine, T ^b   Manolopoulos, D E ^c   Mitchell, D ^a   Orlandi, G ^d   Schmidt, R ^b   Seifert, G ^b   Zerbetto, F ^d  

^a UNIVERSITY OF EXETER   (United Kingdom)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^c UNIVERSITY OF NOTTINGHAM   (United Kingdom)

^d UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000332778     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9532226     Document Type: Article

References (30)

1. Kroto, H. W. Nature (London) 1987, 329, 529.
2. Schmalz, T. G.; Seitz, W. A.; Klein, D. J.; Hite, G. E. J. Am. Chem. Soc. 1988, 110, 1113.
3. Grünbaum, B. Convex Polytopes; Wiley: New York, 1967.
4. Fowler, P. W.; Manolopoulos, D. E. An Atlas of Fullerenes; Oxford University Press: Oxford, 1995.
5. Yi, J.-Y.; Bernhole, J. J. Chem. Phys. 1992, 96, 8634.
6. Murry, R. L.; Strout, D. L.; Odom, G. K.; Scuseria, G. E. Nature (London) 1993, 366, 665.
7. Fowler, P. W.; Zerbetto, F. Chem. Phys. Lett. 1995, 243, 36.
8. Zhang, B. L.; Wang, C. Z.; Ho, K. M.; Xu, C. H.; Chan, C. T. J. Chem. Phys. 1992, 97, 5007;
9. Zhang, B. L.; Wang, C. Z.; Ho, K. M.; Xu, C. H.; Chan, C. T. J. Chem. Phys. 1993, 98, 3095.
10. Fowler, P. W.; Manolopoulos, D. E.; Orlandi, G.; Zerbetto, F. J. Chem. Soc., Faraday Trans. 1995, 91, 1421.
11. Austin, S. J.; Fowler, P. W.; Orlandi, G.; Manolopoulos, D. E.; Zerbetto, F. Chem. Phys. Lett. 1994, 226, 219.
12. Gao, Y.-D.; Herndon, W. C. J. Am. Chem. Soc. 1993, 115, 8459.
13. Warshel, A.; Karplus, M. J. Am. Chem. Soc. 1972, 94, 5612.
14. Porezag, D.; Frauenheim, Th.; Köhler, Th.; Seifert, G.; Kaschner, R. Phys. Rev. 1995, B51, 12947.
15. Seifert, G.; Porezag, D.; Frauenheim, Th. Int. J. Quantum Chem., in press.
16. Manolopoulos, D. E.; May, J. C.; Down, S. E. Chem. Phys. Lett. 1991, 181, 105.
17. Babić, D.; Trinajstić, N. Chem. Phys. Lett. 1995, 237, 239.
18. Manolopoulos, D. E.; Fowler, P. W. J. Chem. Phys. 1992, 96, 7603.
19. Orlandi, G.; Zerbetto, F.; Fowler, P. W. J. Phys. Chem. 1993, 97, 13575.
20. Negri, F.; Orlandi, G.; Zerbetto, F. Chem. Phys. Lett. 1992, 196, 303.
21. Orlandi, G.; Zerbetto, F.; Fowler, P. W.; Manolopoulos, D. E. Chem. Phys. Lett. 1993, 208, 441.
22. Fowler, P. W.; Mitchell, D. J. Chem. Inf. Comput. Sci. 1995, 35, 874.
23. Austin, S. J.; Fowler, P. W.; Manolopoulos, D. E.; Orlandi, G.; Zerbetto, F. J. Phys. Chem. 1995, 99, 8076.
24. Raghavachari, K. Chem. Phys. Lett. 1992, 190, 397.
25. The calculations used Mopac 6.00: Stewart, J. J. P. Quantum Chemistry Program Exchange; Department of Chemistry, Indiana University: Bloomington, IN, 47405.
26. Iijima, S.; Ichihashi, T.; Ando, Y. Nature (London) 1992, 356, 776.
27. Mackay, A. L.; Terrenes, H. Philos. Trans. R. Soc. London Sec. A 1993, 343, 113.
28. Dunlap, B. I.; Taylor, R. J. Phys. Chem. 1994, 98, 11018.
29. Hummelen, J. C.; Prato, M.; Wudl, F. J. Am. Chem. Soc. 1995, 117, 7003.
30. Birkett, P. R.; Avent, A. G.; Darwish, A. D.; Kroto, H. W.; Taylor, R.; Walton, D. R. J. Chem. Soc., Chem. Commun. 1995, 1869.