We report QCFF/PI quantum chemical calculations of the molecular structure, the vibrational frequencies, and the energy ordering of the states at the onset of the electronic spectrum of the Clb isomer of Dz symmetry. Comparison is made with the limited amount of experimental data available.
Prediction of the structure and the vibrational frequencies of a C84 isomer of D2 symmetry
β Scribed by Fabrizia Negri; Giorgio Orlandi; Francesco Zerbetto
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 353 KB
- Volume
- 189
- Category
- Article
- ISSN
- 0009-2614
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