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Interpretation of photoelectron spectra of hydrocarbons by use of a semiempirical calculation

✍ Scribed by Asbrink, L.; Fridh, C.; Lindholm, E.

Book ID
119956670
Publisher
American Chemical Society
Year
1972
Tongue
English
Weight
250 KB
Volume
94
Category
Article
ISSN
0002-7863

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Chemistry of excited states. XI. Interpr
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✍ G. Kluge; M. Scholz πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 719 KB

## Abstract The single excited doublet states of some small molecule cations calculated by CI method in the framework of semiempirical CNDO and INDO models are correlated with the photoelectron spectra of the parent molecules. The purity of the Koopmans transitions is used to discuss the one‐partic