Editing TIP4Q model of water

The '''TIP4Q''' model
<ref>[http://dx.doi.org/10.1039/C1CP20858F José Alejandre, Gustavo A. Chapela, Humberto Saint-Martin and Noé Mendoza "A non-polarizable model of water that yields the dielectric constant and the density anomalies of the liquid: TIP4Q", Phys. Chem. Chem. Phys., (2011) (Advance Article)]</ref>
is a re-parameterisation of the original [[TIP4P]] potential for [[Computer simulation techniques | simulations]] of [[water]].
TIP4Q is a rigid planar model, having a similar geometry to that of the [[BF |Bernal and  Fowler model]].
==Parameters==
The TIP4Q model consists of a [[Lennard-Jones model | Lennard-Jones site]] for the [[oxygen]] atom, and three charge sites (data from Table I).
::[[Image:Four_site_water_model.png‎|400px]]



{| style="width:65%; height:100px" border="1"
|- 
| <math>r_{\mathrm {OH}}</math> (&Aring;)|| <math>\angle</math>HOH , deg|| <math>\sigma</math> (&Aring;)|| <math>\epsilon/k</math> (K)|| q(O) (e) || q(H) (e) || q(M) (e) || <math>r_{\mathrm {OM}}</math> (&Aring;) 
|- 
| 0.9572 || 104.52 ||  3.1666 || 93.2 || 0.5 || 0.525 || -2q(H) || 0.069
|}



==References==
<references/>

[[Category: Water]]
[[Category: Models]]
{{numeric}}