Difference between revisions of "SPC model of water"

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The simple point charge empirical model (SPC) of water. The molecule is modelled as a rigid triangle, having the following parameters

 parameter value $\sigma$ 3.166${\mathrm {\AA}}$ $\epsilon$ 0.650 kJ mol$^{-1}$ $\mathcal{l}$ 1.000${\mathrm {\AA}}$ $\theta_{\mathrm {HOH}}$ $109.47^{\circ}$ $q_{\mathrm{O}}$ -0.82 $e$

References

1. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren and J. Hermans, in: Intermolecular Forces (B. Pullman, ed.), Reidel, Dordrecht, p. 331 (1981).