Bibliografic database on Semiconductors, Heterostructures and Biophysics

Isomers of Fullerene

• Estimates of effective Hubbard model parameters for C20 isomers
  Fei Lin and Erik S. Sørensen
  Phys. Rev. B 78, 085435 (2008)
• Structural and electronic properties of the fullerene isomers of Si38 : A systematic theoretical study
  Zacharias G. Fthenakis, Remco W. Havenith, Madhu Menon, and Patrick W. Fowler
  Phys. Rev. B 75, 155435 (2007)
• Hydrogenated caged clusters of Si, Ge, and Sn and their endohedral doping with atoms: Ab initio calculations
  Vijay Kumar and Yoshiyuki Kawazoe
  Phys. Rev. B 75, 155425 (2007)
• First- and second-electron affinities of C60 and C70 isomers
  Henning Zettergren, Manuel Alcamí, and Fernando Martín
  Phys. Rev. A 76, 043205 (2007)
• Cagelike Au32 detected in relativistic density-functional calculations of optical spectroscopy
  Wei Fa, Jian Zhou, Chuanfu Luo, and Jinming Dong
  Phys. Rev. B 73, 085405 (2006)
• Lowest-energy endohedral fullerene structures of SiN (30â
  Li Ma, Jijun Zhao, Jianguang Wang, Baolin Wang, and Guanghou Wang
  Phys. Rev. A 73, 063203 (2006)
• Electronic structure of the trimetal nitride fullerene Dy3N@C80
  H. Shiozawa, H. Rauf, T. Pichler, D. Grimm, X. Liu, M. Knupfer, M. Kalbac, S. Yang, L. Dunsch, B. Büchner, and D. Batchelor
  Phys. Rev. B 72, 195409 (2005)
• Structure and transport properties of isomer-separated C82
  Y. Kubozono, Y. Rikiishi, K. Shibata, T. Hosokawa, S. Fujiki, and H. Kitagawa
  Phys. Rev. B 69, 165412 (2004)
• Direct Imaging of Sc2@C84 Molecules Encapsulated Inside Single-Wall Carbon Nanotubes by High Resolution Electron Microscopy with Atomic Sensitivity
  K. Suenaga, T. Okazaki, C.-R. Wang, S. Bandow, H. Shinohara, and S. Iijima
  Phys. Rev. Lett. 90, 055506 (2003)
• Ab initio calculations of electronic structures, polarizabilities, Raman and infrared spectra, optical gaps, and absorption spectra of M@Si16 (M=Ti and Zr) clusters
  V. Kumar, T. M. Briere, and Y. Kawazoe
  Phys. Rev. B 68, 155412 (2003)
• Theoretical identification of C20 carbon clusters: Prevalence of the monocyclic isomer and existence of the smallest fullerene and bowl isomer
  J. Lu, S. Re, Y.-k. Choe, S. Nagase, Y. Zhou, R. Han, L. Peng, X. Zhang, and X. Zhao
  Phys. Rev. B 67, 125415 (2003)
• First-principles studies of the geometry and energetics of the Si36 cluster
  Q. Sun, Q. Wang, P. Jena, S. Waterman, and Y. Kawazoe
  Phys. Rev. A 67, 063201 (2003)
• Optimization of geometrical structure and simulation of the spectra of third-order nonlinear optical polarizabilities in C59Si and C58Si2 heterofullerenes
  W.-D. Cheng, D.-S. Wu, H. Zhang, D.-G. Chen, and H.-X. Wang
  Phys. Rev. B 66, 085422 (2002)
• Fullerene growth and the role of nonclassical isomers
  E. Hernández, P. Ordejón, and H. Terrones
  Phys. Rev. B 63, 193403 (2001)
• Ab initio study of silicon-multisubstituted neutral and charged fullerenes
  C.-C. Fu, M. Weissmann, M. Machado, and P. Ordejón
  Phys. Rev. B 63, 085411 (2001)
• Carbon clusters near the crossover to fullerene stability
  P. R. C. Kent, M. D. Towler, R. J. Needs, and G. Rajagopal
  Phys. Rev. B 62, 15394 (2000)
• Structure and Stability of Molecular Carbon: Importance of Electron Correlation
  J. C. Grossman, L. Mitas, and K. Raghavachari
  Phys. Rev. Lett. 75, 3870 (1995)
• Stable Configurations of Carbon Clusters: Chains, Rings, and Fullerenes
  H. Handschuh, G. Ganteför, B. Kessler, P. S. Bechthold, and W. Eberhardt
  Phys. Rev. Lett. 74, 1095 (1995)
• Isomers of the toroidal forms of graphitic carbon
  S. Itoh and S. Ihara
  Phys. Rev. B 49, 13970 (1994)
• Structure and phase transition of the 6,5-annulene isomer of C61H2
  A. N. Lommen, P. A. Heiney, G. B. M. Vaughan, P. W. Stephens, D. Liu, D. Li, A. L. Smith, A. R. McGhie, R. M. Strongin, L. Brard, and A. B. Smith, III
  Phys. Rev. B 49, 12572 (1994)
• Ab initio molecular-orbital calculation for C70 and seven isomers of C80
  K. Nakao, N. Kurita, and M. Fujita
  Phys. Rev. B 49, 11415 (1994)
• Bonding and electronic properties of substituted fullerenes C58B2 and C58N2
  N. Kurita, K. Kobayashi, H. Kumahora, and K. Tago
  Phys. Rev. B 48, 4850 (1993)
• Energetics and fullerene fractionation
  B. I. Dunlap
  Phys. Rev. B 47, 4018 (1993)
• Vibrational spectra of C84 isomers
  B. L. Zhang, C. Z. Wang, and K. M. Ho
  Phys. Rev. B 47, 1643 (1993)
• Structural and electronic properties of C84: A first-principles study
  X. Wang, C. Z. Wang, B. L. Zhang, and K. M. Ho
  Phys. Rev. Lett. 69, 69 (1992)
• Precursors to C60 fullerene formation
  C. J. Brabec, E. B. Anderson, B. N. Davidson, S. A. Kajihara, Q.
  Phys. Rev. B 46, 7326 (1992)
• Growth regimes of carbon clusters
  D. Tománek and M. A. Schluter
  Phys. Rev. Lett. 67, 2331 (1991)