SPC-pol model of water: Difference between revisions
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m (New page: {{stub-water}} The '''SPC-pol''' model of water is a polarisable variant of the SPC model for water. ==References== #[http://dx.doi.org/10.1021/jp993687m Bin Chen, Jianhua Xing, an...) |
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The '''SPC-pol''' model of water is a polarisable variant of the [[SPC]] model for [[water]]. | The '''SPC-pol''' model of water is a polarisable variant of the [[SPC]] model for [[water]]. | ||
==Parameters== | |||
[[Image:Thee_site_water_model.png|center|400px]] | |||
{| border="1" | |||
|- | |||
| parameter || value | |||
|- | |||
| <math>\sigma</math> || <math> --- {\mathrm {\AA}}</math> | |||
|- | |||
| <math>\epsilon</math> || <math> --- </math> kJ mol<sup>-1</sup> | |||
|- | |||
| <math>r_\mathrm{OH}</math> || <math> --- \mathrm{\AA}</math> | |||
|- | |||
| <math>\angle_\mathrm{HOH}</math> || <math>---^{\circ}</math> | |||
|- | |||
| <math>q_{\mathrm{O}}</math> || <math>---- e</math> | |||
|- | |||
| <math>q_{\mathrm{H}}</math> || <math>q_{\mathrm{O}}/2</math> (charge neutrality) | |||
|} | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1021/jp993687m Bin Chen, Jianhua Xing, and J. Ilja Siepmann "Development of Polarizable Water Force Fields for Phase Equilibrium Calculations", Journal of Physical Chemistry B '''104''' pp. 2391–2401 (2000)] | #[http://dx.doi.org/10.1021/jp993687m Bin Chen, Jianhua Xing, and J. Ilja Siepmann "Development of Polarizable Water Force Fields for Phase Equilibrium Calculations", Journal of Physical Chemistry B '''104''' pp. 2391–2401 (2000)] | ||
[[category: Water]] | [[category: Water]] | ||
[[category: models]] | [[category: models]] | ||
Revision as of 18:27, 8 June 2009
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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 SPC-pol model of water is a polarisable variant of the SPC model for water.
Parameters
| parameter | value |
| kJ mol-1 | |
| (charge neutrality) |
