The Vibrational Spectrum of Fullerene C60
The Journal of Physical Chemistry A2001Vol. 105(50), pp. 11192–11196
Citations Over TimeTop 10% of 2001 papers
Abstract
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 C60 are rediscussed, and a revised assignment of all the silent modes is obtained and compared with the most recent assignments.
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