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Figure 4
Comparison of the experimental solution scattering data with MD simulation. (a) Comparison of the experimental ΔF (open blue circles) derived from a 15 mM aqueous solution of [Ru(bpy)3]Cl2 with calculation (solid orange line); the residual is shown below in gray. (b) Data from (a) Fourier transformed to real space using [Q\in[0.8,21.4]] Å−1.

IUCrJ
Volume 11| Part 3| May 2024| Pages 423-433
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524003282