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Figure 4
Individual XANES spectra (dotted blue and red lines) computed from different snapshots compared with the averaged spectrum (solid black line). In the upper part, the hydration complex geometries of the corresponding snapshots are shown. |
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Figure 4
Individual XANES spectra (dotted blue and red lines) computed from different snapshots compared with the averaged spectrum (solid black line). In the upper part, the hydration complex geometries of the corresponding snapshots are shown. |