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On the use of atomistic simulations to aid bulk metallic glasses structural elucidation with solid-state NMR
Solid-state nuclear magnetic resonance (ssNMR) experimental (27)Al metallic shifts reported in the literature for bulk metallic glasses (BMGs) were revisited in the light of state-of-the-art atomistic simulations. In a consistent way, the Gauge-Including Projector Augmented-Wave (GIPAW) method was a...
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| Publicado no: | Sci Rep |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5571217/ https://ncbi.nlm.nih.gov/pubmed/28839159 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-08919-6 |
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