TIP4P-pol model of water: Difference between revisions
Jump to navigation
Jump to search
m (New page: {{stub-water}} The '''TIP4P-pol''' model of water is a polarisable variant of the TIP4P model for water. ==References== #[http://dx.doi.org/10.1021/jp993687m Bin Chen, Jianhua Xing...) |
m (Started a parameters section.) |
||
| Line 1: | Line 1: | ||
{{stub-water}} | {{stub-water}} | ||
The '''TIP4P-pol''' model of | The '''TIP4P-pol''' model | ||
<ref>[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)]</ref> | |||
is a polarisable variant of the [[TIP4P]] model for [[water]]. | |||
==Parameters== | |||
[[Image:Four_site_water_model.png|center|400px]] | |||
{| style="width:75%; height:100px" border="1" | |||
|- | |||
| <math>r_{\mathrm {OH}}</math> (Å)|| <math>\angle</math>HOH , deg|| <math>\sigma</math> (Å)|| <math>\epsilon/k</math> (K)|| q(O) (e) || q(H) (e) || q(M) (e) || <math>r_{\mathrm {OM}}</math> (Å) | |||
|- | |||
| --- || --- || --- || --- || --- || --- || --- || --- | |||
|} | |||
==References== | ==References== | ||
<references/> | |||
[[category: Water]] | [[category: Water]] | ||
[[category: models]] | [[category: models]] | ||
Revision as of 18:18, 8 June 2009
|
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 TIP4P-pol model [1] is a polarisable variant of the TIP4P model for water.
Parameters
| (Å) | HOH , deg | (Å) | (K) | q(O) (e) | q(H) (e) | q(M) (e) | (Å) |
| --- | --- | --- | --- | --- | --- | --- | --- |
