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. 2017 Feb 1;3(3):176–185. doi: 10.1021/acscentsci.6b00356

Figure 5.

Figure 5

Room temperature solution-phase AcIII L3-edge EXAFS function k3χ(k) from the Ac-aquo ion (HO3SCF3, 0.11 M) (solid blue trace) and a FEFF8 model for Ac(H2O)93+ (dashed red trace), whose coordinates were obtained from a single frame of the MD-DFT calculation.