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Introduction: The Quantum Chemical Calculation of NMR and EPR Parameters

✍ Scribed by Martin Kaupp; Michael Buehl; Vladimir G. Malkin


Publisher
John Wiley and Sons
Year
2005
Weight
8 KB
Volume
36
Category
Article
ISSN
0931-7597

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The site of deprotonation of several types of amide acids properties (nuclear shielding and electric field gradient) of the involved heteronuclei were calculated and compared (carboxylic amides and imides, sulfonamides, cyanamide, Nhydroxyurea) has been investigated by quantum chemical with experime