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Figure 3
Top: comparison of interpolated (dots) and MS-calculated (dashes) spectra for control sets of parameters: (0.8, 0.8, 0.8, 0.8, 0, 0, 0) (all varied distances are equal to 2.46 Å) for distances variation and (0, 0, 0, 0, 0.8, 0.8, 0.8) (all varied angles are equal to 132°) for angles variation. Solid lines correspond to the MS calculations for the initial set of parameters (0, 0, 0, 0, 0, 0, 0). It is difficult to resolve the dotted and dashed curves because they are very close. Bottom: difference between interpolated and MS-calculated spectra for control sets of parameters. The solid (dashed) line corresponds to the angles (distances) variation. Calculations were performed for Fe K-edge XANES of FeS4.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 13| Part 1| December 2006| Pages 19-29
doi:10.1107/S0909049505038975
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