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Figure 2
Results of the case studies conducted using the Web-CONEXS platform. (a) Plot comparing the theoretical and experimental Fe K-edge for the organometallic complex [Fe(bpy)3]2+ in the low-spin case. (b) Plot comparing the Zn L3-edge of ZnO measured experimentally computed with Web-CONEXS and with fully converged parameters. (c) Plot of the Ag K-edge XANES spectra of Ag nanoparticles measured experimentally and computed using the FDMNES code. In all cases, experimental spectra are plotted with a dashed black line, the Web-CONEXS result is plotted with solid orange lines and an `accurate' calculation is plotted with a solid grey line.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 31| Part 5| September 2024| Pages 1276-1284
https://doi.org/10.1107/S1600577524005630
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