Chemical shift reference scale for Li solid state NMR derived by first-principles DFT calculations-Reference-Cited by-同舟云学术

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Chemical shift reference scale for Li solid state NMR derived by first-principles DFT calculations

Published:2018-12 Issue: Volume:297 Page:33-41
ISSN:1090-7807
Container-title:Journal of Magnetic Resonance
language:en
Short-container-title:Journal of Magnetic Resonance

Author:

Köcher S.S.,Schleker P.P.M.,Graf M.F.,Eichel R.-A.,Reuter K.,Granwehr J.,Scheurer Ch.

Publisher

Elsevier BV

Subject

Condensed Matter Physics,Nuclear and High Energy Physics,Biochemistry,Biophysics

Reference110 articles.

1. Chemical shift computations on a crystallographic basis: some reflections and comments;Harris;Magn. Reson. Chem.,2007

2. The PAW/GIPAW approach for computing NMR parameters: a new dimension added to NMR study of solids;Charpentier;Solid State Nucl. Magn. Reson.,2011

3. Calculation of ligand NMR chemical shifts in transition-metal complexes using ab initio effective-core potentials and density functional theory;Kaupp;Chem. Phys. Lett.,1995

4. First-Principles calculation of NMR parameters using the gauge including projector augmented wave method: a chemist’s point of view;Bonhomme;Chem. Rev.,2012

5. First-principles calculations of NMR parameters for phosphate materials;Vasconcelos;Magn. Reson. Chem.,2010

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