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. 2021 Jul 27;9:704160. doi: 10.3389/fchem.2021.704160

FIGURE 2.

FIGURE 2

(A) Snapshot of the SCPNs corresponding to the last frame of the MD simulations (t = 200 ns), including the ions inside (pink) at that time (the lateral chain is not shown for clarity of the image). (B and C) Average number of cations (B) and anions (C) inside the α,δ-SCPN averaged over the last 180 ns of the MD simulations in LiCl, NaCl, KCl, CsCl, and CaCl2 0.15 M, respectively. Diving into confinement: structure of water and ions inside the α,δ-SCPN.