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Intramolecular Proton Transfer in the Tautomers of C8 Oxidative Adenine: A DFT Study

โœ Scribed by Gu, Jiande; Tian, Anmin; Li, Wai-Kee; Wong, Ning-Bew

Book ID
120265847
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
111 KB
Volume
104
Category
Article
ISSN
0022-3654

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โœ Hossein Tavakol ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 541 KB

## Abstract DFT and Moller Plesset (MP2) calculations were applied to study of isomery scheme in formazan. Formazan that can be presented by three tautomers and eight isomers has various applications in dyes, complexes, and biochemistry. The structures of its isomers and related transition states w