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An ab initio study of the energetics of protonation of some N-β-d-glucopyranosylamine derivatives

✍ Scribed by Mariusz Makowski; Lech Chmurzyński

Book ID
114141823
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
187 KB
Volume
579
Category
Article
ISSN
0166-1280

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✍ Weili Qian; Samuel Krimm 📂 Article 📅 1993 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 892 KB

The energetics of the Xyx3X; portion of the disulfide bridge have been obtained from an ab initio study of diethyl disulfide. Calculations at the 3-21G\* level were done on relaxed structures at every -30" in X: and X;, and the additional energies for small AX3 were obtained. Complete E ( x : , Xi)