Intra‐cage Dynamics in Endohedral Fullerenes
- Conference date: 8-15 March 2003
- Location: Kirchberg, Tirol (AUSTRIA)
Endohedral fullerenes in general and cluster/molecule encapsulated endohedrals in particular exhibit a very complex dynamic behaviour, that has necessarily to be considered when investigating or characterizing these systems by spectrosopic measurements. Molecular dynamics (MD) simulations along with the calculation of dynamic spectra provide a detailed insight into the intra‐cage dynamics of these systems and help to clarify its impact on spectroscopic investigations. The effects are shown exemplarily for Sc3N@C80, Sc3N@C78 and Sc2C2@C84.
- Cluster dynamics
- Molecular dynamics
- Atomic and molecular clusters
- Molecular spectra
- Molecular spectroscopy
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Y. K. Semertzidis, M. Aoki, M. Auzinsh, V. Balakin, A. Bazhan, G. W. Bennett, R. M. Carey, P. Cushman, P. T. Debevec, A. Dudnikov, F. J. M. Farley, D. W. Hertzog, M. Iwasaki, K. Jungmann, D. Kawall, B. Khazin, I. B. Khriplovich, B. Kirk, Y. Kuno, D. M. Lazarus, L. B. Leipuner, V. Logashenko, K. R. Lynch, W. J. Marciano, R. McNabb, W. Meng, J. P. Miller, W. M. Morse, C. J. G. Onderwater, Y. F. Orlov, C. S. Ozben, R. Prigl, S. Rescia, B. L. Roberts, N. Shafer‐Ray, A. Silenko, E. J. Stephenson, K. Yoshimura and EDM Collaboration
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