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Figure 1
Block diagram of the data analysis procedure. Among a database of target models a limited number of sites are selected according to a preliminary XAFS analysis. The ab initio simulations of the putative clusters are fitted to the experimental data using RB refinement and parameterizing the DW factors according to DFT estimates. The identification of the binding site is done on the basis of a statistical analysis. See text for details.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 17| Part 1| January 2010| Pages 41-52
https://doi.org/10.1107/S090904950904919X
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