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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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| 出版年: | Sci Data |
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| 主要な著者: | , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Nature Publishing Group UK
2020
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| 主題: | |
| オンライン･アクセス: | 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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