Investigating discrepancies between experimental solid-state NMR and GIPAW calculation: N C–N 13C and OH⋯O 1H chemical shifts in pyridinium fumarates and their cocrystals-Reference-Cited by-同舟云学术

Investigating discrepancies between experimental solid-state NMR and GIPAW calculation: N C–N 13C and OH⋯O 1H chemical shifts in pyridinium fumarates and their cocrystals

Published:2020-08 Issue: Volume:108 Page:101662
ISSN:0926-2040
Container-title:Solid State Nuclear Magnetic Resonance
language:en
Short-container-title:Solid State Nuclear Magnetic Resonance

Author:

Corlett Emily K.^ORCID,Blade Helen,Hughes Leslie P.,Sidebottom Philip J.,Walker David,Walton Richard I.,Brown Steven P.^ORCID

Funder

EPSRC Centre for Doctoral Training in Molecular Analytical Science

European Research Council (ERC

University of Warwick

Publisher

Elsevier BV

Subject

Instrumentation,Nuclear and High Energy Physics,General Chemistry,Radiation

Reference67 articles.

1. All-electron magnetic response with pseudopotentials: NMR chemical shifts

2. Combining solid-state NMR spectroscopy with first-principles calculations – a guide to NMR crystallography

3. Molecular Structure Determination in Powders by NMR Crystallography from Proton Spin Diffusion

4. NMR crystallography: the use of chemical shifts

5. First-Principles Calculation of NMR Parameters Using the Gauge Including Projector Augmented Wave Method: A Chemist’s Point of View

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