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.
✦ LIBER ✦
Electronic structure of the two C78 isomers with C2v symmetry
✍ Scribed by M. Knupfer; O. Knauff; M.S. Golden; J. Fink; M. Bürk; D. Fuchs; S. Schuppler; R.H. Michel; M.M. Kappes
- Book ID
- 107736591
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 389 KB
- Volume
- 258
- Category
- Article
- ISSN
- 0009-2614
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