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]

r_OH (nm)	$\angle$ HOH (deg)	$\sigma _{0}$ O (nm)	$\epsilon _{o}$ O (kJmol^-1)	$\|U_{min}^{OH}\|$ (kJmol^-1)	q_H (e)	$r_{\sigma }^{OH}$ (nm)	r_OM (nm)	$\mu$ (D)
0.09572	104.52	0.31536	0.6487	10.46	0.4415	0.14	0.015	1.85

References[edit]

V. E. Petrenko, M. L. Antipova, A. V. Borovkov and O. V. Ved’ "New model pair potential for water. Effect of inclusion of specific O⋯H interactions on the topology and dynamics of the hydrogen-bond network", Russian Journal of General Chemistry 77 pp. 1700-1707 (2007)

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