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A theoretical determination of the electronic spectrum of formaldehyde

✍ Scribed by Merchán, Manuela; Roos, Björn O.


Book ID
115514637
Publisher
Springer
Year
1995
Tongue
English
Weight
885 KB
Volume
92
Category
Article
ISSN
1432-2234

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A theoretical study of the electronic sp
✍ Luis Serrano-Andrés; Manuela Merchán; Markus Fülscher; Björn O. Roos 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 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