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Accurate Computational Prediction of Core-Electron Binding Energies in Carbon-Based Materials: A Machine-Learning Model Combining Density-Functional Theory and GW.
Chem Mater. 2022 Jul 26;34(14):6240-6254. doi: 10.1021/acs.chemmater.1c04279. Epub 2022 Jul 13.
Chem Mater. 2022.
PMID: 35910537
Free PMC article.
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