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. 2013 Sep 6;110(39):15591–15596. doi: 10.1073/pnas.1308560110

Fig. 4.

Fig. 4.

Given a tagged H atom, the oxygen atom O it is covalently bound to, and the acceptor atom O′, X and X′ are the Wannier centers of the two O atoms that are closest to H. The plots report the joint probability distribution of ν and of the distances of the Wannier centers to the corresponding O. A classical simulation of liquid water (Upper) and a simulation that includes NQEs (Lower) are shown.