R.J. Gambino, N.R. Stemple, et al.
Journal of Physics and Chemistry of Solids
A Car-Parrinello molecular-dynamics study of C60 in the fullerene structure has been performed. The ground-state properties were calculated and found to be in agreement with other theoretical estimates. The finite-temperature properties of such clusters are computed. These can be directly compared to experiments performed at finite temperature. The comparison is very favorable for structural, vibrational, and electronic properties. © 1991 The American Physical Society.
R.J. Gambino, N.R. Stemple, et al.
Journal of Physics and Chemistry of Solids
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EMC 2001
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