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NMR Shielding in Metals Using the Augmented Plane Wave Method
[Image: see text] We present calculations of solid state NMR magnetic shielding in metals, which includes both the orbital and the complete spin response of the system in a consistent way. The latter contains an induced spin-polarization of the core states and needs an all-electron self-consistent t...
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| Veröffentlicht in: | J Phys Chem C Nanomater Interfaces |
|---|---|
| Hauptverfasser: | , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
American Chemical
Society
2015
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| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4547173/ https://ncbi.nlm.nih.gov/pubmed/26322148 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.5b05947 |
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