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. 2023 Jul 10;127(28):13817–13836. doi: 10.1021/acs.jpcc.3c02072

Figure 12.

Figure 12

Ad hoc and consistent trajectories. Example of the j and j configuration estimates in a PF run on a synthetic data set that starts at low sz values. Large spheres mark tip positions, thin lines connect subsequent j points, and thick lines and small spheres visualize the azimuthal orientation of the molecule (see inset) for selected j values. The molecule (green) at the bottom of the main panel is drawn to scale.