The structure, the vibrational frequencies and the normal modes of C6ff are calculated with an upgraded QCFF/PI semiempirical quantum chemical method. We use a configuration interaction wavefunction expanded on 400 determinants (all the one-to six-electron excitations in the space spanned by the tri
β¦ LIBER β¦
The vibrational frequencies of C60
β Scribed by Fabrizia Negri; Giorgio Orlandi; Francesco Zerbetto
- Book ID
- 107736450
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 215 KB
- Volume
- 190
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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