Peter J. Price
Surface Science
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.
Peter J. Price
Surface Science
Eloisa Bentivegna
Big Data 2022
Robert W. Keyes
Physical Review B
C.M. Brown, L. Cristofolini, et al.
Chemistry of Materials