Structural predictions for the C116 molecule

Journal of Physical Chemistry A

Volumn 102, Issue 34, 1998, Pages 6835-6841

  Achiba, Y ^a   Fowler, P W ^b   Mitchell, D ^b   Zerbetto, F ^c  

^a TOKYO METROPOLITAN UNIVERSITY   (Japan)

^b UNIVERSITY OF EXETER   (United Kingdom)

^c UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ISOMERS; MOLECULAR STRUCTURE; QUANTUM THEORY; THERMODYNAMIC STABILITY; TOPOLOGY;

HEXAGON NEIGHBOR RULE; ISOLATED PENTAGON RULE; QUANTUM CONSISTENT FORCE FIELD;

FULLERENES;

EID: 0032136943     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp981453h     Document Type: Article

References (21)

1. Achiba, Y.; Kikuchi, K.; Aihara, Y.; Wakabayashi, T.; Miyake, Y.; Kainosho, M. In The chemical physics of the fullerenes 10 (and 5) years later; Andreoni, W., Ed.; Kluwer Academic Press: Dordrecht, 1996; p 139.
2. Achiba, Y.; Andreoni, W.; Fowler, P. W.; Gimzewski, J.; Mitchell, D.; Zerbetto, F. To be published.
3. Brinkmann, G.; Dress, A. W. M. J. of Algorithms 1997, 23, 345.
4. Austin, S. J.; Fowler, P. W.; Manolopoulos, D. E.; Orlandi, G.; Zerbetto, F. J. Phys. Chem. 1995, 99, 8076.
5. Kroto, H. W. Nature 1987, 329, 529.
6. Schmalz, T. G.; Seitz, W. A.; Klein, D. J.; Hite, G. E. J. Am. Chem. Soc. 1988, 101, 1113.
7. Ettl, R.; Chao, I.; Diederich, F.; Whetten, R. L. Nature 1991, 353, 149.
8. Diederich, F.; Whetten, R. L.; Thilgen, C.; Ettl, R.; Chao, I.; Alvarez, M. Science 1991, 254, 1768.
9. Manolopoulos, D. E.; Fowler, P. W.; Taylor, R.; Kroto, H. W.; Walton, D. R. M. J. Chem. Soc., Faraday Trans. 1992, 88, 3117.
10. Taylor, R.; Langley, G. J.; Avent, A. G.; Dennis, T. J. S.; Kroto, H. W.; Walton, D. R. M. J. Chem. Soc., Perkin Trans. 2 1993, 1029.
11. Fowler, P. W.; Manolopoulos, D. E. An Atlas of Fullerenes; Oxford University Press: Oxford, 1995.
12. Fowler, P. W.; Manolopoulos, D. E.; Orlandi, G.; Zerbetto, F. J. Chem. Soc., Faraday Trans. 1995, 91, 1421.
13. Yi, J.-Y.; Bernholc, J. J. Chem. Phys. 1992, 96, 8634.
14. Murry, R. L.; Strout, D. L.; Odom, G. K.; Scuseria, G. E. Nature 1993, 366, 665.
15. Zhang, B. L.; Wang, C. Z.; Ho, K. M.; Xu, C. H.; Chan, C. T. J. Chem. Phys. 1992, 97, 5007; Ibid. 1993, 98, 3095.
16. Zhang, B. L.; Wang, C. Z.; Ho, K. M.; Xu, C. H.; Chan, C. T. J. Chem. Phys. 1992, 97, 5007; Ibid. 1993, 98, 3095.
17. Warshel, A.; Karplus, M. J. Am. Chem. Soc. 1972, 94, 5612.
18. Austin, S. J.; Fowler, P. W.; Orlandi, G.; Manolopoulos, D. E.; Zerbetto, F. Chem. Phys. Lett. 1994, 226, 219.
19. Manolopoulos, D. E.; May, J. C.; Down, S. E. Chem. Phys. Lett. 1991, 181, 105.
20. Fowler, P. W.; Manolopoulos, D. E. J. Chem. Phys. 1992, 96, 7603.
21. Raghavachari, K. Chem. Phys. Lett. 1992, 190, 397.