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- W2084485364 endingPage "1037" @default.
- W2084485364 startingPage "1030" @default.
- W2084485364 abstract "The X-Ray photoelectron and emission spectra (XPS, XES) of C-, N-, and O-containing polymers [polyvinyl alcohol (PVA), polyethylene oxide (PEO), and dianhydride-4,4′-oxydianiline (PMDA-ODA)] were simulated by de-Mon density-functional theory (DFT) calculations using the model molecules. The theoretical valence photoelectron and C, N, and O Kα X-Ray emission spectra showed good agreement with some experimental ones. The combined analysis of the valence XPS and C, N, and O Kα XES enables us to divide the observed valence electronic distribution into the individual contributions for pσ-, pπ- and non-bonding MOs of the polymers." @default.
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- W2084485364 date "2000-12-01" @default.
- W2084485364 modified "2023-10-11" @default.
- W2084485364 title "Theoretical X-Ray Photoelectron and Emission Spectra of C-, N-, and O-Containing Polymers by Density-Functional Theory Calculations using Model Molecules" @default.
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- W2084485364 doi "https://doi.org/10.1295/polymj.32.1030" @default.
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