TIP4P-HB model of water

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The TIP4P-HB model is a re-parameterisation of the original TIP4P potential for simulations of water. The TIP4P-HB model incorporates a dipole moment.

Parameters[edit]

Four site water model.png


rOH (nm) \angleHOH (deg) \sigma_0O (nm) \epsilon_oO (kJmol-1) |U_{min}^{OH}| (kJmol-1) qH (e) r_{\sigma}^{OH} (nm) rOM (nm) \mu (D)
0.09572 104.52 0.31536 0.6487 10.46 0.4415 0.14 0.015 1.85

References[edit]

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