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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5571217/ https://www.ncbi.nlm.nih.gov/pubmed/28839159 http://dx.doi.org/10.1038/s41598-017-08919-6 |