Theoretical study of molecular enamel wires based on polythiophene-cyclodextrin inclusion complexes

Molecular Crystals and Liquid Crystals

Volumn 406, Issue , 2003, Pages

  Belosludov, Rodion V ^a   Sato, Hiroyuki ^a   Farajian, Amir A ^a   Mizuseki, Hiroshi ^a   Kawazoe, Yoshiyuki ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Density functional theory; HOMO; LUMO; Polythiophene; CD; CD

Indexed keywords

CROSSLINKING; DATA ACQUISITION; ELECTRONIC STRUCTURE; ENAMELS; NANOTUBES; OPTIMIZATION; ORGANIC COMPOUNDS; POLYMERS; QUANTUM THEORY; WIRE PRODUCTS;

DENSITY FUNCTIONAL THEORY; HOMO; LUMO; POLYTHIOPHENE; Α-CD; Β-CD;

MOLECULAR DYNAMICS;

EID: 85034316534     PISSN: 15421406     EISSN: None     Source Type: Journal    
DOI: 10.1080/744818981     Document Type: Conference Paper

References (21)

1. Joachim, C., Gimzewski, J. K., & Aviram, A. (2000). Nature, 408, 541-548.
2. Wada, Y., Tsukada, M., Fujihira, M., Matsushige, K., Ogawa, T., Haga, M., & Tanaka, S. (2000). Jpn. J. Appl. Phys., 39, 3835-3849, and references therein.
3. Reed, M. A. & Tour, J. M. (2000). Sci. Am., 282, 86-93.
4. Aviram, A. & Ratner, M. A. (1974). Chem. Phys. Lett., 29, 277-283.
5. Osa, T. & Fujihira, M. (1976). Nature, 264, 349-350.
6. Fuijihira, M., Ohishi, N., & Osa, T. (1977). Nature, 268, 226-228.
7. Yaliraki, S. N., Kemp, M., & Ratner, M. A. (1999). J. Am. Chem. Soc., 121, 3428
8. Seminario, J. M., Zacarias, A. G., & Derosa, P. A. (2001). J. Phys. Chem. A, 105, 792.
9. Heeger, A. J. (2001). J. Phys. Chem. B, 105, 8475-8491.
10. Yoshida, K., Shimomura, T., Ito, K., & Hayakawa, R. (1999) Langmuir, 15, 910-913.
11. Shimomura, T., Akai, T., Abe, T., & Ito, K. (2002). J. Chem. Phys., 116, 1753-1755.
12. Harada, A., Li, J., & Kamachi, M. (1994). Nature, 364, 516-518.
13. Belosludov, R. V., Mizuseki, H., Ichinoseki, K., & Kawazoe, Y. (2002). Jpn. J. Appl. Phys., 41, 2739.
14. Becke, A. D. (1993). J. Chem. Phys., 98, 5648-5652.
15. Perdew, J. P., & Wang, Y. (1992). Phys. Rev. B, 45, 13244-13249.
16. Humbel, S., Sieber, S., & Morokuma, K. (1996). J. Chem. Phys., 105, 1959-1967.
17. Frisch, M. J. et al.: Gaussian 98, revision A.I; Gaussian, Inc.: Pittsburg, PA, 1998.
18. Kobayashi, M., Chen, J., Chung, T. C., Moraes, F., Heeger, A. J., & Wudl, F. (1984). Synth. Metals, 9, 77-86.
19. Onoda, M., Manda, Y., Morita, S., & Yoshino, K. (1990). J. Phys. Soc. Jpn., 59, 213-217.
20. Almenningen, A., Bastiansen, O., & Svendsas, P. (1958). Acta. Chem. Scand., 12, 1671-1674.
21. Belosludov, R. V., Sato, H., Farajian, A. A., Mizuseki, H., Ichinoseki, K., & Kawazoe, Y. Jpn. J. Appl. Phys. (to be published).