Endohedral motions inside capped single-walled carbon nanotubes

Journal of Chemical Physics

Volumn 118, Issue 10, 2003, Pages 4456-4462

  Cioslowski, Jerzy ^a,b   Rao, Niny ^a   Pernal, Katarzyna ^b   Moncrieff, David ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF SZCZECIN   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPLEXATION; COMPUTER SIMULATION; ELECTRIC FIELDS; ELECTRONIC STRUCTURE; MOLECULAR VIBRATIONS; POLARIZATION; POSITIVE IONS; SODIUM; SURFACES;

COMPLEXATION ENERGY; ENDOHEDRAL MOTIONS; SINGLE WALLED CARBON NANOTUBES;

CARBON NANOTUBES;

EID: 0037426170     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1544733     Document Type: Article

References (35)

1. J. Cioslowski and E. Fleischmann, J. Chem. Phys. 94, 3730 (1991).
2. T. Weiske, D. K. Böhme, J. Hrusak, W. Krätschmer, and H. Schwartz, Angew. Chem. Int. Ed. Engl. 30, 884 (1991).
3. M. Saunders, H. A. Jiménez-Vázquez, R. J. Cross, S. Mroczkowski, M. L. Gross, D. E. Giblin, and R. J. Poreda, J. Am. Chem. Soc. 116, 2193 (1994).
4. R. Klingeler, G. Kann, I. Wirth, S. Eisebitt, P. S. Bechthold, M. Neeb, and W. Eberhardt, J. Chem. Phys. 115, 7215 (2001).
5. T. Kanbara, Y. Kubozono, Y. Takabayaschi, S. Fujiki, S. Iida, Y. Haruyama, S. Kashino, S. Emura, and T. Akasaka, Phys. Rev. B 64, 113403 (2001).
6. T. Akasaka, T. Wakahara, S. Nagase et al., J. Am. Chem. Soc. 122, 9316 (2000).
7. L. Dunsch, A. Bartl, P. Georgi, and P. Kuran, Synth. Met. 121, 1113 (2001).
8. S. Y. Liu and S. Q. Sun, J. Organomet. Chem. 74, 599 (2000).
9. H. Shinohara, Rep. Prog. Phys. 63, 843 (2000).
10. N. Tagmatarchis, E. Aslanis, K. Prassides, and H. Shinohara, Chem. Mater. 13, 2374 (2001).
11. E. B. Iezzi, J. C. Duchamp, K. Harich, T. E. Glass, H. M. Lee, M. M. Olmstead, A. L. Balch, and H. C. Dorn. J. Am. Chem. Soc. 124, 524 (2002).
12. M. M. Olmstead, A. De Bettencourt-Dias, J. C. Duchamp, S. Stevenson, D. Marciu, H. C. Dorn, and A. L. Balch, Angew. Chem. Int. Ed. Engl. 40, 1223 (2001).
13. J. Cioslowski and K. Raghavachari, J. Chem. Phys. 98, 8734 (1993).
14. T. Peres, B. P. Cao, W. D. Cui, A. Khong, R. J. Cross, Jr., M. Saunders, and Ch. Lifschitz, Int. J. Mass. Spectrom. 210, 241 (2001).
15. J. Cioslowski and A. Nanayakkara, Phys. Rev. Lett. 69, 2871 (1992).
16. S. Iijima, Nature (London) 354, 56 (1991).
17. R. Q. Long and R. T. Yang, J. Am. Chem. Soc. 123, 2058 (2000).
18. S. M. Lee, K. H. An, Y. H. Lee, G. Seifert, and T. Frauenheim, J. Am. Chem. Soc. 123, 5059 (2001).
19. A. C. Dillon, K. M. Jones, T. A. Bekkedahl, C. H. Kiang, D. S. Bethune, and M. J. Heben, Nature (London) 386, 377 (1997).
20. M. Wilson and P. A. Madden, J. Am. Chem. Soc. 123, 2101 (2001).
21. P. L. McEuen, Nature (London) 393, 15 (1998).
22. C. T. White, D. H. Robertson, and J. W. Mintmire, Phys. Rev. B 47, 5485 (1993).
23. N. Hamada, S. Sawada, and A. Oshiyama, Phys. Rev. Lett. 68, 1579 (1992).
24. R. Saito, M. Fujita, G. Dresselhaus, and M. S. Dresselhaus, Phys. Rev. B 46, 1804 (1992).
25. R. Saito, M. Fujita, G. Dresselhaus, and M. S. Dresselhaus, Appl. Phys. Lett. 60, 2204 (1992).
26. K. Tanaka, K. Okahara, M. Okada, and T. Yamabe, Chem. Phys. Lett. 191, 469 (1992).
27. M. Ouyang, J. L. Huang, C. L. Cheung, and C. M. Lieber, Science 292, 702 (2001).
28. P. Delaney, H. J. Choi, J. Ihm, S. G. Louie, and M. L. Cohen, Phys. Rev. B 60, 7899 (1999).
29. A. Rochefort, D. R. Salahub, and P. Avouris, J. Phys. Chem. B 103, 641 (1999).
30. T. Yamabe, M. Imade, M. Tanaka, and T. Sato, Synth. Met. 117, 61 (2001).
31. J. Cioslowski, N. Rao, and D. Moncrieff, J. Am. Chem. Soc. 124, 8485 (2002).
32. R. J. Harrison, J. A. Nichols, T. P. Straatsma et al., NWCHEM, A Computational Chemistry Package for Parallel Computers, Version 4.0.1 (2001). Pacific Northwest National Laboratory, Richland, Washington 99352-0999.
33. Y. P. Varshni, Physica B 307, 197 (2001).
34. D. B. Whitehouse and A. D. Buckingham, Chem. Phys. Lett. 207, 332 (1993).
35. J. Cioslowski, Electronic Structure Calculations on Fullerenes and Their Derivatives (Oxford University Press, Oxford, 1995), and the references cited therein.