Calculation of the vibrational structure in molecular photoelectron spectra
โ Scribed by D.P. Chong; F.G. Herring; D. McWilliams
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 981 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0368-2048
No coin nor oath required. For personal study only.
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The relative luteusity of vibrational bands arIsing from phctolocization in 02 and 32 are examined as a function of angle. and the results dlscuvsed in terms 0: aul.oionization state6 and a possible breakdowu in the Bork&enhelmer approrcimatlon.
The structure of the dithionite ion, S2 O:-, is examined using quantum chemical calculations. These studies strongly suggest that only the C2,, (trans) isomer is stable in solution. The CZv (cis) form reported in NazSZ0,.2Hz0 is stabilized by crystal forces. The calculated vibrational spectrum of th