On the accuracy of the GIAO-DFT calculation of 15N NMR chemical shifts of the nitrogen-containing heterocycles--a gateway to better agreement with experiment at lower computational cost

On the accuracy of the GIAO-DFT calculation of 15N NMR chemical shifts of the nitrogen-containing heterocycles--a gateway to better agreement with experiment at lower computational cost

Copyright © 2014 John Wiley & Sons, Ltd.

Bibliographische Detailangaben
Veröffentlicht in:Magnetic resonance in chemistry : MRC. - 1985. - 52(2014), 5 vom: 26. Mai, Seite 222-30
1. Verfasser: Samultsev, Dmitry O (VerfasserIn)
Weitere Verfasser: Semenov, Valentin A, Krivdin, Leonid B
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2014
Zugriff auf das übergeordnete Werk:Magnetic resonance in chemistry : MRC
Schlagworte:Journal Article Research Support, Non-U.S. Gov't 15N NMR GIAO-DFT azines azoles chemical shift locally dense basis set magnetic shielding constant Azoles mehr... Hydrazines Nitrogen Isotopes Pyridazines
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