Valence shell calculations of the structure and spectroscopic properties of 3,4-dimethylenecyclobutene
โ Scribed by Claude Leibovici
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 416 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0022-2860
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๐ SIMILAR VOLUMES
The third-order ab initio effective valence shell hamiltonran of quasi-degenerate many-body perturbation theory is calculated for the vaience state potential curves of CH and CH" simultaneously. The results are in accord with experiment and configuration interaction calculations, and they have appli
Continuum MSXa calculations are used to investigate photoionization cross sections of the molecule PF,. Shape resonances, accessible from both core and valence orbitals, are found in the a, and e channels although the a2 channel is non-resonant. The essential character of the resonant states is iden