Showing 1 - 20 results of 3,089 for search '(( c large decrease ) OR ((( set ((we decrease) OR (sizes decrease)) ) OR ( a large decrease ))))', query time: 0.65s Refine Results
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    Benchmarking DFT Accuracy in Predicting O 1s Binding Energies on Metals by Elizabeth E. Happel (22391811)

    Published 2025
    “…Density functional theory (DFT) is often used to support XPS peak assignments, but its reliability for predicting oxygen species is not well established. Here, we compile a large data set of experimental oxygen binding energies and evaluate corresponding DFT predictions. …”
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    Benchmarking DFT Accuracy in Predicting O 1s Binding Energies on Metals by Elizabeth E. Happel (22391811)

    Published 2025
    “…Density functional theory (DFT) is often used to support XPS peak assignments, but its reliability for predicting oxygen species is not well established. Here, we compile a large data set of experimental oxygen binding energies and evaluate corresponding DFT predictions. …”
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