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High-throughput computational X-ray absorption spectroscopy
X-ray absorption spectroscopy (XAS) is a widely-used materials characterization technique. In this work we present a database of computed XAS spectra, using the Green's formulation of the multiple scattering theory implemented in the FEFF code. With more than 500,000 K-edge X-ray absorption nea...
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| 出版年: | Sci Data |
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| 主要な著者: | , , , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Nature Publishing Group
2018
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6067047/ https://ncbi.nlm.nih.gov/pubmed/30063226 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/sdata.2018.151 |
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