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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4547173/ https://www.ncbi.nlm.nih.gov/pubmed/26322148 http://dx.doi.org/10.1021/acs.jpcc.5b05947 |