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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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Detalhes bibliográficos
Publicado no:J Phys Chem C Nanomater Interfaces
Main Authors: Laskowski, Robert, Blaha, Peter
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2015
Acesso em linha: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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