Computational treatment of 35 IPR isomers of C88

Fullerene Science and Technology

Volumn 8, Issue 4, 2000, Pages 417-432

  Slanina, Zdeněk ^a   Uhlík, Filip ^b   Yoshida, Mitsuho ^a   Osawa, Eiji ^a  

^a TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^b CHARLES UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

GROUND STATE; ISOMERS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; THERMAL EFFECTS; THERMODYNAMIC PROPERTIES;

ISOLATED PENTAGON RULE; QUANTUM CHEMICAL METHOD; THERMODYNAMIC EQUILIBRIUM;

FULLERENES;

EID: 0034228227     PISSN: 1064122X     EISSN: None     Source Type: Journal    
DOI: 10.1080/10641220009351422     Document Type: Article

References (40)

1. Y. Achiba, K. Kikuchi, Y. Aihara, T. Wakabayashi, Y. Miyake and M. Kainosho, in Science and Technology of Fullerene Materials, Eds. P. Bernier, D. S. Bethune, L. Y. Chiang, T. W. Ebbesen, R. M. Metzger, J. W. Mintmire, Materials Research Society, Pittsburgh, 1995, p. 3.
2. Y. Achiba, K. Kikuchi, Y. Aihara, T. Wakabayashi, Y. Miyake and M. Kainosho, The Chemical Physics of Fullerenes 10 (and 5) Years Later, Ed. W. Andreoni, Kluwer Academic Publishers, Dordrecht, 1996, p. 139.
3. Y. Achiba, Kagaku, 1997, 52 (5), 15.
4. H. W. Kroto, Nature, 1987, 329, 529.
5. D. E. Manolopoulos and P. W. Fowler, J. Chem. Phys., 1992, 96, 7603.
6. P. W. Fowler and D. E. Manolopoulos, An Atlas of Fullerenes, Clarendon Press, Oxford, 1995.
7. M. Yoshida and E. Osawa, Bull. Chem. Soc. Jpn., 1995, 68, 2073.
8. M. Yoshida, Ph.D. Thesis, Toyohashi University of Technology, Toyohashi, 1996.
9. Z. Slanina, M.-L. Sun, S.-L. Lee and L. Adamowicz, in Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials, Vol. 2, Eds. K. M. Kadish and R. S. Ruoff, The Electrochemical Society, Pennington, 1995, 1138.
10. F. Diederich, R. L. Whetten, C. Thilgen, R. Ettl, I. Chao and M. M. Alvarez, Science, 1991, 254, 1768.
11. K. Kikuchi, N. Nakahara, T. Wakabayashi, S. Suzuki, H. Shiromaru, Y. Miyake, K. Saito, I. Ikemoto, M. Kainosho and Y. Achiba, Nature, 1992, 357, 142.
12. D. Bakowies, A. Geleßus and W. Thiel, Chem. Phys. Lett., 1992, 197 324.
13. Z. Slanina, J.-P. François, D. Bakowies and W. Thiel, J. Mol. Struct. (Theochem), 1993, 279 213.
14. S. J. Woo, E. Kim and Y. H. Lee, Phys. Rev. B, 1993, 47, 6721.
15. K. Nakao, N. Kurita and M. Fujita, Phys. Rev. B, 1994, 49, 11415.
16. M.-L. Sun, Z. Slanina, S.-L. Lee, F. Uhlík and L. Adamowicz, Chem. Phys. Lett., 1995, 246, 66.
17. F. H. Hennrich, R. H. Michel, A. Fischer, S. Richard-Schneider, S. Gilb, M. M. Kappes, D. Fuchs, M. Bürk, K. Kobayashi and S. Nagase, Angew. Chem., Int. Ed. Engl., 1996, 35, 1732.
18. K. Kikuchi, N. Nakahara, T. Wakabayashi, M. Honda, H. Matsumiya, T. Moriwaki, S. Suzuki, H. Shiromaru, K. Saito, K. Yamauchi, I. Ikemoto and Y. Achiba, Chem. Phys. Lett., 1992, 188, 177.
19. S. Nagase, K. Kobayashi, T. Kato and Y. Achiba, Chem. Phys. Lett., 1993, 201, 475.
20. G. Orlandi, F. Zerbetto and P. W. Fowler, J. Phys. Chem., 1993, 97, 13575.
21. S. Nagase and K. Kobayashi, Chem. Phys. Lett., 1993, 214, 57.
22. Z. Slanina, S.-L. Lee, K. Kobayashi and S. Nagase, J. Mol. Struct. (Theochem), 1995, 339, 89.
23. M. Saunders, H. A. Jiménez-Vázquez, R. J. Cross, W. E. Billups, C. Gesenberg, A. Gonzalez, W. Luo, R. C. Haddon, F. Diederich and A. Herrmann, J. Am. Chem. Soc., 1995, 117, 9305.
24. F. Diederich, R. Ettl, Y. Rubin, R. L. Whetten, R. Beck, M. Alvarez, S. Anz, D. Sensharma, F. Wudl, K. C. Khemani and A. Koch, Science, 1991, 252, 548.
25. R. D. Beck, P. S. John, M. M. Alvarez, F. Diederich and R. L. Whetten, J. Phys. Chem., 1991, 95, 8402.
26. K. Kikuchi, N. Nakahara, M. Honda, S. Suzuki, K. Saito, H. Shiromaru, K. Yamauchi, I. Ikemoto, T. Kuramochi, S. Hino and Y. Achiba, Chem. Lett., 1991, 1607.
27. K. Raghavachari and C. M. Rohlfing, J. Phys. Chem., 1991, 95, 5768.
28. Z. Slanina, J.-P. François, M. Kolb, D. Bakowies and W. Thiel, Fullerene Sci. Technol. 1993, 1, 221.
29. Z. Slanina, S.-L. Lee, M. Yoshida and E. Osawa, Chem. Phys., 1996, 209, 13.
30. Z. Slanina, S.-L. Lee, M. Yoshida and E. Osawa, in Physics and Chemistry of Fullerenes and Their Derivatives, Eds. H. Kuzmany, J. Fink, M. Mehring and S. Roth, World Sci. Publ., Singapore, 1996, p. 389.
31. Z. Slanina, S.-L. Lee, M. Yoshida and E. Osawa, In Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials, Vol. 3, Eds. K. M. Kadish, R. S. Ruoff, The Electrochemical Society, Pennington, 1996, 967.
32. Z. Slanina, S.-L. Lee and L. Adamowicz, Int. J. Quantum Chem. 1997, 63, 529.
33. M. J. S. Dewar, C. Jie and J. Yu, Tetrahedron, 1993, 49, 5003.
34. AMPAC 5.0, Semichem, Shavnee, KS, 1995.
35. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez and J. A. Pople, Gaussian 94, Gaussian, Inc., Pittsburgh, PA (1995).
36. Z. Slanina, Int. Rev. Phys. Chem., 1987, 6, 251.
37. Z. Slanina, S.-L. Lee and C.-H. Yu, Rev. Comput. Chem., 1996, 8, 1.
38. G. E. Scuseria, In Buckminsterfullerenes, Eds. W. E. Billups and M. A. Ciufolini, VCH, New York, 1993, p. 103.
39. K. Hedberg, L. Hedberg, D. S. Bethune, C. A. Brown, H. C. Dorn, R. D. Johnson and M. de Vries, Science, 1991, 254, 410.
40. B. N. Cyvin, S. J. Cyvin, J. Brunvoll and E. Brendsdal, J. Mol. Struct. 1995, 346, 21.