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On the interpretation of polyoxymethylene valence XPS spectra using band calculations

✍ Scribed by Stephen R. Cain

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
338 KB
Volume
143
Category
Article
ISSN
0009-2614

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Analysis of XPS valence band spectra of
Analysis of XPS valence band spectra of polymers using a density-functional theory based calculation of model oligomers
✍ S. MΓ€hl; M. Neumann; B. Schneider; V. Schlett; A. Baalmann πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 295 KB πŸ‘ 2 views

XPS valence band spectra of 10 polymers (PE, PcI, PPG, PVME, PVA, PVMK, PAA, PMA, PMMA, and PGMA) were measured and simulated with the DMol ab initio molecular orbital program. We performed the calculations with model compounds such as trimers, pentamers, or hexamers of the polymers. The theoretical