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Figure 2
(a) Comparison of MS calculations for different atomic clusters of the uranium L3-edge for the UO2(NO3)2(H2O)2 solid based on the FEFF code. TN reflects the total atom number. (b) Comparison of experimental and theoretical uranium L3-edge XANES spectra in the UO2(NO3)2(H2O)2 solid. The FEFF spectrum corresponds to the TN9 model. The FDMNES spectrum corresponds to the result based on the FDM model, which is more precise than that based on the muffin-tin approximation, as shown in Fig. S3.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 23| Part 3| May 2016| Pages 758-768
doi:10.1107/S1600577516001910
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