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Prediction of the Ground-State Electronic Structure from Core-Loss Spectra of Organic Molecules by Machine Learning
[Image: see text] The core-loss spectrum reflects the partial density of states (PDOS) of the unoccupied states at the excited state and is a powerful analytical technique to investigate local atomic and electronic structures of materials. However, various molecular properties governed by the ground...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10226108/ https://www.ncbi.nlm.nih.gov/pubmed/37199249 http://dx.doi.org/10.1021/acs.jpclett.3c00142 |