Substitution effects in the 15 N NMR chemical shifts of heterocyclic azines evaluated at the GIAO-DFT level-Reference-Cited by-同舟云学术

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Substitution effects in the 15 N NMR chemical shifts of heterocyclic azines evaluated at the GIAO-DFT level

Published:2018-04-02 Issue:8 Volume:56 Page:767-774
ISSN:0749-1581
Container-title:Magnetic Resonance in Chemistry
language:en
Short-container-title:Magn Reson Chem

Author:

Semenov Valentin A.¹,Samultsev Dmitry O.¹,Krivdin Leonid B.¹^ORCID

Affiliation:

1. A. E. Favorsky Irkutsk Institute of Chemistry; Siberian Branch of the Russian Academy of Sciences; Favorsky St. 1 664033 Irkutsk Russia

Publisher

Wiley

Subject

General Materials Science,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/mrc.4731/fullpdf

Reference36 articles.

1. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

2. Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

3. Theoretical grounds of relativistic methods for calculation of spin–spin coupling constants in nuclear magnetic resonance spectra

4. Modern quantum chemical methods for calculating spin–spin coupling constants: theoretical basis and structural applications in chemistry

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