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Evidence of the interaction of the unpaired electrons in the ir spectra of biradicals

✍ Scribed by L. A. Kotorlenko; V. S. Aleksandrova; G. A. Novozhilova; É. G. Rozantsev

Book ID
112358926
Publisher
Springer
Year
1979
Tongue
English
Weight
390 KB
Volume
14
Category
Article
ISSN
0040-5760

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Electronic Absorption Spectra of Planar,
Electronic Absorption Spectra of Planar, Conjugated Biradicals in the Lowest Triplet State
✍ Markus Gisin; Jakob Wirz 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 German ⚖ 717 KB

## Abstract The semiempirical PPP‐SCF‐SCI method has been adapted to even‐electron, open‐shell π‐systems by performing the SCF calculation on the lowest triplet configuration and choosing a limited set of single electronic excitations from the latter for configuration interaction. The basic approxi