MCDHO 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. |
The MCDHO (Mobile Charge Densities in Harmonic Oscillators) model of water.
References[edit]
- Humberto Saint-Martin, Jorge Hernández-Cobos, Margarita I. Bernal-Uruchurtu, Iván Ortega-Blake and Herman J. C. Berendsen "A mobile charge densities in harmonic oscillators (MCDHO) molecular model for numerical simulations: The water–water interaction", Journal of Chemical Physics 113 pp. 10899-10912 (2000)
- Humberto Saint-Martin, Berk Hess and Herman J. C. Berendsen "An application of flexible constraints in Monte Carlo simulations of the isobaric–isothermal ensemble of liquid water and ice Ih with the polarizable and flexible mobile charge densities in harmonic oscillators model", Journal of Chemical Physics 120 pp. 11133-11143 (2004)