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.
Electronic states and structure of D2 C76
β Scribed by Hai-Ping Cheng; Robert L. Whetten
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 457 KB
- Volume
- 197
- Category
- Article
- ISSN
- 0009-2614
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