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.


rOH (nm) HOH (deg) O (nm) O (kJmol-1) (kJmol-1) qH (e) (nm) rOM (nm) (D)
0.09572 104.52 0.31536 0.6487 10.46 0.4415 0.14 0.015 1.85


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