POL3 model of water
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This article is a 'stub' about water and/or ice. It has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add material to this article, remove the {{Stub-water}} template from this page. |
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)