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A theoretical CNDO CI study of the electronic spectrum and structure of a spiropyran

✍ Scribed by B. Tinland; R. Guglielmetti; O. Chalvett


Publisher
Elsevier Science
Year
1973
Tongue
French
Weight
241 KB
Volume
29
Category
Article
ISSN
0040-4020

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A theoretical study of the electronic sp
✍ Luis Serrano-AndrΓ©s; Manuela MerchΓ‘n; Markus FΓΌlscher; BjΓΆrn O. Roos πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 926 KB

The electronic spectrum of thiophene has been studied using multiconfiguration second-order perturbation theory and extended AN0 basis sets. The calculations comprise four singlet valence excited states and the 3s3p3d Rydberg series. The lowest triplet states were included and some n-n\* and n-ti st