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Protonation of glycine, serine and cysteine. Conformations, proton affinities and intrinsic basicities

✍ Scribed by M Noguera; L Rodrı́guez-Santiago; M Sodupe; J Bertran


Book ID
114141265
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
982 KB
Volume
537
Category
Article
ISSN
0166-1280

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✍ Javier Fernández Sanz; Julio Anguiano; Jaume Vilarrasa 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 594 KB

Theoretical calculations at the 3-21G and 3-21+G ab initzo levels and at the MNDO and AM1 semiempirical levels of several six-membered nitrogenated heterocycles and their protonated species have been carried out. The 3-21G calculated proton affinities are systematically too high, in relation to the