The simulation box – view along the axis z, i.e., along the channel axis.
The time evolution of Θ angle at 350 K for models A, B, and C for eight selected pyridinium cation.
The pyridinium cation together with indications of its positions.
The distribution function p(Θ) at 350 K for models A, B, and C for eight selected pyridinium cations (the same as in Fig. 2).
The total distribution function P(Θ) for models A, B, and C at 300 K (dashed, black), 350 K (solid, red), and 400 K (dotted, blue).
The angular correlation function for models A (black), B (red), and C (blue) at 350 K.
The partial charges.
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