光散射学报, 2005, 17 (3): 226, 网络出版: 2006-05-19  

富勒烯及碳纳米管,实验学家和理论学家的竞技场

Fullerenes and Nanotubes, Arena not only for Experimentalists, but also for Theoreticians
作者单位
1 Department of Chemistry and Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, USA
2 Institut für Organische Chemie, Univers(a)t Erlangen-Nürnberg, Henkestr. 42, 91054, Erlangen, Germany
3 Department of Physics and Astronomy, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA
4 Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470, Mülheim an der Ruhr Germany
摘要
Abstract
The interplay between experiments and theory has been playing an important role from the very beginning of fullerene and carbon nanotube science. In this talk, we will present our most recent studies on computational fullerene andsingle-walled carbon nanotube (SWCNT) chemistry.……
参考文献

[1] Lu, X.; Chen, Z.; Xie, S. Y.; Zheng, L. S.; Thiel, W.; Schleyer, P. v. R. (to be submitted)

[2] Xie, S.Y.; Gao, F.; Lu X.; Huang, R. B.; Wang, C. R.; Zhang, X.; Liu, M.L.; Deng, S. L.; Zheng, L. S. Science 2004, 304, 699

[3] a) Mauser, H.; Hirsch, A.; Hommes, N. J. R. v. E.; Clark, T. J. Mol. Model. 1997, 3, 415; b) Mauser, H.; Hommes, N. J. R. v. E.; Clark, T.; Hirsch, A.; Pietzak, B.; Weidinger, A.; Dunsch, L. Angew. Chem. Int. Ed. Engl. 1997, 36, 2835

[4] Chen, Z.; Thiel, W.; Hirsch, A. ChemPhysChem 2003, 4, 93

[5] Chen, Z.; Nagase, S.; Hirsch, A.; Haddon, R. C.; Thiel, W.; Schleyer, P. v. R. Angew. Chem. Int. Ed. 2004, 43, 1552

[6] (a) Chen, J.; Hamon, M. A.; Hu, H.; Chen, Y.; Rao, A. M.; Eklund, P. C.; Haddon, R. C. Science, 1998, 282, 95; (b) Holzinger, M.; Abraham, J.; Whelan, P. ; Graupner, R. ; Ley, L. ; Hennrich, F.; Kappes, M. ; Hirsch, A. J. Am. Chem. Soc. 2003, 125, 8566. (c) Kamaras, K.; Itkis, M. E.; Hu, H.; Zhao, B.; Haddon, R. C. Science 2003, 301, 1501. (d) Hu, H.; Zhao, B.; Hamon, M. A.; Kamaras, K.; Itkis, M.; Haddon, R. C. J. Am. Chem. Soc. 2003, 125, 14893.

[7] Zhao, J.; Chen, Z.; Park, H.; Schleyer, P. v. R.; Lu, J. (to be submitted)

CHEN Zhong-fang, LU Xin  ZHAO Ji-jun, Walter Thiel, Paul von Ragué Schleyer. 富勒烯及碳纳米管,实验学家和理论学家的竞技场[J]. 光散射学报, 2005, 17(3): 226. CHEN Zhong-fang, LU Xin  ZHAO Ji-jun, Walter Thiel, Paul von Ragué Schleyer. Fullerenes and Nanotubes, Arena not only for Experimentalists, but also for Theoreticians[J]. The Journal of Light Scattering, 2005, 17(3): 226.

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