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First Principles NMR Study of Fluorapatite under Pressure
NMR is the technique of election to probe the local properties of materials. Herein we present the results of density functional theory (DFT) ab initio calculations of the NMR parameters for fluorapatite (FAp), a calcium orthophosphate mineral belonging to the apatite family, by using the GIPAW meth...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3435879/ https://ncbi.nlm.nih.gov/pubmed/22770669 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.ssnmr.2012.06.002 |
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