SPC model of water

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The simple point charge empirical model (SPC) of water. The molecule is modeled as a rigid triangle, with parameters

parameter value
3.166
0.650kJ mol
1.000
109.47
-0.82


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).