Octa-1,3,5,7-tetraene: Ab initio geometries and vibrational spectra of some stable structures
β Scribed by Yurii N. Panchenko; Charles W. Bock
- Book ID
- 104877616
- Publisher
- Springer
- Year
- 1992
- Tongue
- English
- Weight
- 812 KB
- Volume
- 3
- Category
- Article
- ISSN
- 1040-0400
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The low-lying intmvalence and Rydberg excited states of cyclohepta-lJ,Striene and cycloocta-1,3,5,7-tetraene, accessed by one-and twc-photon absorption, have been investigated at ab initio level by utilizing RPA vertical transition energies and amplitudes. The nature of the first valence-like excite
The structures and vibrational spectra of the weakly bound homodimers of methane and silane have been determined by means of a series of ab initio calculations at the level of second order MΓΈller-Plesset perturbation theory and with a triple-zeta split valence Gaussian basis set augmented with polar