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High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional

Frederico A Lima1, Ragnar Bjornsson, Thomas Weyhermüller

  • 1Max-Planck-Institut für Chemische Energiekonversion, Stiftstrasse 34-36, D- 45470, Mülheim an der Ruhr, Germany. serena.debeer@cec.mpg.de.

Physical Chemistry Chemical Physics : PCCP
|November 8, 2013
PubMed
Summary

High-energy resolution fluorescence detected X-ray absorption spectroscopy (HERFD-XAS) sharpens spectral features for heavy elements. This study calibrates computational methods for accurate molybdenum K-edge HERFD-XAS analysis.

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