Journal of Physical Chemistry A, Vol.105, No.50, 11192-11196, 2001
The vibrational spectrum of fullerene C-60
Using an improved DFT calculation of the vibrational frequencies based on the B3-LYP functional and the 6-31G* basis set, the infrared, Raman, neutron inelastic and luminescence spectra of C-60 are rediscussed, and a revised assignment of all the silent modes is obtained and compared with the most recent assignments.