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Peculiarities of the electronic spectra of model Cu-Zn catalysts of methanol synthesis in the oxidized and reduced states

✍ Scribed by A. A. Khassin; S. F. Ruzankin; V. F. Anufrienko; A. A. Altynnikov; T. V. Larina; J. van den Heuvel; T. M. Yurieva; V. N. Parmon


Book ID
110160432
Publisher
SP MAIK Nauka/Interperiodica
Year
2006
Tongue
English
Weight
190 KB
Volume
409
Category
Article
ISSN
0012-5016

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✍ Yoong-Kee Choe; Shigeru Nagase; Kichisuke Nishimoto πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 673 KB

## Abstract Time‐dependent density functional theory has been applied to investigate the electronic absorption spectrum of oxidized and reduced lumiflavin and its derivative, 8‐NH~2~‐lumiflavin. The calculations allow the authors to explain the origin of the difference in spectral features between