期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 105, 期 50, 页码 11192-11196出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp012874t
关键词
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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.
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