SPC/FQ model of water: Difference between revisions
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Carl McBride (talk | contribs) (New page: ==References== #[http://dx.doi.org/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal ...) |
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{{Stub-water}} | |||
The '''SPC/FQ''' model is a variant of the [[SPC]] model, having fluctuating charges. | |||
==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/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics '''101''' pp. 6141-6156 (1994)] | #[http://dx.doi.org/10.1063/1.468398 Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics '''101''' pp. 6141-6156 (1994)] | ||
[[category: water]] | [[category: water]] | ||
[[category: models]] | [[category: models]] | ||
Latest revision as of 15:45, 23 February 2010
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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/FQ model is a variant of the SPC model, having fluctuating charges.
Parameters[edit]
| parameter | value |
| kJ mol-1 | |
| (charge neutrality) |
