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

✍ Scribed by Bouchoux, Guy; Choret, Nadège; Berruyer-Penaud, Florence

Book ID
121486833
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
87 KB
Volume
105
Category
Article
ISSN
1089-5639

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✍ 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