Ontology highlight
ABSTRACT:
SUBMITTER: Choudhary K
PROVIDER: S-EPMC7578653 | biostudies-literature | 2020 Oct
REPOSITORIES: biostudies-literature
Choudhary Kamal K Ansari Jaafar N JN Mazin Igor I II Sauer Karen L KL
Scientific data 20201021 1
The deviation of the electron density around the nuclei from spherical symmetry determines the electric field gradient (EFG), which can be measured by various types of spectroscopy. Nuclear Quadrupole Resonance (NQR) is particularly sensitive to the EFG. The EFGs, and by implication NQR frequencies, vary dramatically across materials. Consequently, searching for NQR spectral lines in previously uninvestigated materials represents a major challenge. Calculated EFGs can significantly aid at the se ...[more]