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Theoretical studies of the oxidized and reduced states of a model for the active site of rubredoxin

✍ Scribed by Bair, Raymond A.; Goddard, William A.

Book ID
127274699
Publisher
American Chemical Society
Year
1977
Tongue
English
Weight
387 KB
Volume
99
Category
Article
ISSN
0002-7863

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Theoretical study of the electronic spectra of oxidized and reduced states of lumiflavin and its derivative
✍ Yoong-Kee Choe; Shigeru Nagase; Kichisuke Nishimoto 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 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