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Theoretical investigation of spectral properties and tautomerization mechanism of 2-aminopurine

✍ Scribed by He, Rong-Xing; Duan, Xiao-Hui; Li, Xiang-Yuan

Book ID
111963629
Publisher
Royal Society of Chemistry
Year
2006
Tongue
English
Weight
611 KB
Volume
8
Category
Article
ISSN
1463-9076

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The kinetics and thermodynamics of lactam/lactim tautomerization in 2-pyridone through intramolecular proton transfer have been investigated for the lowest three singlet electronic states. All the energy extrema on the three surfaces have been located and the concerted reaction paths have been trace