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Protonation Thermochemistry of α,ω-Alkane Diols in the Gas Phase: A Theoretical Study

✍ Scribed by Bouchoux, G.; Berruyer-Penaud, F.


Book ID
126989899
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
132 KB
Volume
107
Category
Article
ISSN
1089-5639

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Azaguanine: A Theoretical Study of Its T
✍ J.Guillermo Contreras; Sandra T. Madariaga 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 177 KB

The tautomerism and protonation of 8-azaguanine (azaG) have been studied by means of ab initio methods, both in the gas phase and in aqueous solution. An elimination procedure to choose the most stable tautomeric forms, based on AM1 and HF/6-31G\* energies, has been applied. Tautomers azaG(1,9), aza