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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