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A theoretical study on the photoisomerization of thiophene

✍ Scribed by Toshio Matsushita; Hidetsugu Tanaka; Kichisuke Nishimoto; Yoshihiro Osamura

Book ID
104803283
Publisher
Springer
Year
1983
Tongue
English
Weight
625 KB
Volume
63
Category
Article
ISSN
1432-2234

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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