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Proton affinity of para-substituted acetophenones in gas phase and in solution: a theoretical study

✍ Scribed by Abir Haloui, Ezzeddine Haloui


Book ID
118790092
Publisher
Springer-Verlag
Year
2012
Tongue
English
Weight
401 KB
Volume
19
Category
Article
ISSN
1610-2940

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Azaguanine: A Theoretical Study of Its T
✍ J.Guillermo Contreras; Sandra T. Madariaga πŸ“‚ Article πŸ“… 1998 πŸ› Elsevier Science 🌐 English βš– 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