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Density functional theory-based electric field gradient database
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,...
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| Publicat a: | Sci Data |
|---|---|
| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Nature Publishing Group UK
2020
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7578653/ https://ncbi.nlm.nih.gov/pubmed/33087719 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41597-020-00707-8 |
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