Table 1
Parameters of the TIP4P/2005f water potential [10] as used in the CAB model established in reference [4].
| Parameter | Value |
|---|---|
| σ0 (nm) | 3.1644 |
| ε0 (kJ/mol) | 0.7749 |
| qH (e−) | 0.5564 |
| qM (e−) | −1.1128 |
| dOH (nm) | 0.09419 |
| DOH (kJ/mol) | 432.581 |
| βOH (1/nm) | 22.87 |
| θOH (°) | 107.4 |
| kθ (kJ/mol/rad2) | 367.81 |
| dOM (nm) | 0.15555 |
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