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Todd E. Miller et al.
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Kiyotaka Asakura et al.
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Peng Jiang et al.
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Atomic multiplets at the L2,3 edge of 3d transition metals and the ligand K edge in x-ray absorption spectroscopy of ionic systems
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Copper L-edge spectra: multiplet vs. multiple scattering theory
W. Xu et al.
15TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE (XAFS15) (2013)
Soft X-ray XANES studies of various phases related to LiFePO4 based cathode materials
Songlan Yang et al.
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Bethe-Salpeter equation calculations of core excitation spectra
J. Vinson et al.
PHYSICAL REVIEW B (2011)
Simultaneous XAFS measurements of multiple samples
B. Ravel et al.
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The CTM4XAS program for EELS and XAS spectral shape analysis of transition metal L edges
Eli Stavitski et al.
MICRON (2010)
Understanding the L2,3 x-ray absorption spectra of early 3d transition elements
Robert Laskowski et al.
PHYSICAL REVIEW B (2010)
Self-consistent aspects of x-ray absorption calculations
O. Bunau et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Correlations in the electronic structure of half-metallic ferromagnetic CrO2 films:: An x-ray absorption and resonant photoemission spectroscopy study -: art. no. 060401
YS Dedkov et al.
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Electronic structure of FeF2 and FeF3 studied by x-ray absorption and fluorescence spectroscopy
S. A. Krasnikov et al.
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Multiple scattering calculations of bonding and X-ray absorption spectroscopy of manganese oxides
B Gilbert et al.
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Pressure-induced spin-state crossovers at room temperature in iron(II) complexes: comparative analysis; a XANES investigation of some new transitions
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X-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and x-ray diffraction characterization of CuO-TiO2-CeO2 catalyst system
MSP Francisco et al.
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JJ Rehr et al.
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