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. 2023 Jul 26;145(31):17201–17210. doi: 10.1021/jacs.3c04281

Figure 5.

Figure 5

On the right are the predicted (red) and experimental (blue) potential energy curves describing water’s translation motion as a function of the angle τ. On the left, the labeling of the five dummy atoms that are necessary to define this translation correctly is provided.