Analysis of the properties of carbon nanotubes from distribution maps of molecular electrostatic potential

Theoretical and Experimental Chemistry

Volumn 40, Issue 5, 2004, Pages 277-280

  Datsyuk, A M ^a   Gromovoi, T Yu ^a   Lobanov, V V ^a  

^a INSTITUTE OF SURFACE CHEMISTRY   (Ukraine)

Author keywords

Electrostatic potential; PM3 method; Single wall carbon nanotubes

Indexed keywords

EID: 23944445664     PISSN: 00405760     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:THEC.0000049072.64393.7c     Document Type: Article

References (15)

1. S. Iijima, Physica B, 323, 1-5 (2002).
2. C. N. R. Rao, R. Seshadri, A. Govindaraj, et al., Mater. Sci. Eng., R15, 209-262 (1995).
3. Z. Yu and L. E. Brus, J. Phys. Chem. B, 105, 6831-6837 (2001).
4. X. Lu, L. Zhang, X. Xu, et al., J. Phys. Chem. B,.106, 2136-2139 (2002).
5. E. V. Basiuk, V. A. Basiyuk, J. G. Banuelose, et al., J. Phys. Chem. B, 106, 1588-1597 (2002).
6. A. Jorio, A. G. Filho, G. Dresselhause, et al., Chem. Phys. Lett., 351, 27-34 (2002).
7. J. J. P. Stewart, J. Comput. Chem., 10, No. 2, 209-220 (1989).
8. L. G. Bulusheva, A. V. Okotrub, D. A. Romanov, et al., Phys. Low-Dimensional Struct., 3/4, 107-133 (1998).
9. J. Q. Li, Y. F. Zhang, and M. X. Zhang, Chem. Phys. Lett., 364, Iss. 3/4, 328-337 (2002).
10. E. R. Davidson and D. Feller, Chem. Rev., 86, 681-696 (1986).
11. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, et al., J. Comput. Chem., 14, 1347-1363 (1993).
12. http://classic.chem.msu.su/gran/gamess/index.html.
13. A. Ito, Y. Natsume, S. Ohmori, et al., Nano Lett., 2, No. 6, 629-633 (2002).
14. Z. Peralta-Inga, P. Lane, J. S. Murray, et al., Nano Lett., 3, No. 1, 21-28 (2003).
15. V. Z. Mordkovich, M. Baxendale, R. P. H. Chang, et al., Synth. Met., 86, 2049-2050 (1997).