POL3 model of water
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POL3 is a three-site model [1] of water.
Melting point[edit]
The Ice Ih-water melting point has been calculated to be [2].
References[edit]
- ↑ James W. Caldwell and Peter A. Kollman "Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide", Journal of Physical Chemistry 99 pp. 6208-6219 (1995)
- ↑ Eva Muchová, Ivan Gladich, Sylvain Picaud, Paul N. M. Hoang, and Martina Roeselová "The Ice−Vapor Interface and the Melting Point of Ice Ih for the Polarizable POL3 Water Model", Journal of Physical Chemistry A 115 pp. 5973-5982 (2011)