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. 2021 Nov 15;118(47):e2108568118. doi: 10.1073/pnas.2108568118

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Fig. 5. — Theoretical scores used to calculate the spectra shown in Fig. 2 D–F. (A) Differences in the total Na-O coordination numbers with respect to negative surface charging. (B) Differences in the total Cl-O coordination numbers with respect to positive surface charging. (C) Average number of HBs per molecule formed between water molecules in the topmost interfacial layer and oriented parallel to the surface for negative surface charging. (D) Average number of HBs per molecule formed between water molecules in the topmost interfacial layer and oriented parallel to the surface for negative surface charging.