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Revealing CSA Tensors and Hydrogen Bonding in Methoxycarbonyl Urea: A combined 13 C, 15 N and 13 C 14 N 2 Dipolar Chemical Shift NMR and DFT Study

✍ Scribed by Macholl, Sven; Börner, Frank; Buntkowsky, Gerd

Book ID
124067139
Publisher
Oldenbourg Wissenschaftsverlag
Year
2003
Tongue
German
Weight
799 KB
Volume
217
Category
Article
ISSN
0942-9352

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✍ E. Kleinpeter; L. Hilfert; A. Koch 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 285 KB 👁 2 views

Both the 13 C and 15 N chemical shifts of a number of quinoxalines substituted in position 2 with the pelectron excess 2'-benzo [b]furanyl substituent which has in position 3' a hydroxy or amino group could be satisfactorily calculated by the GIAO method on the basis of HF and DFT ab initio structur