TIP4F model of water: Difference between revisions

Revision as of 17:10, 8 June 2009

TIP4F is a flexible four-site model of water. The parameters are given in Table I of ^[1].

$r_{\mathrm {OH} }$ (Å)	$\angle$ HOH , deg	$\sigma$ (Å)	$\epsilon /k$ (K)	q(O) (e)	q(H) (e)	q(M) (e)	$r_{\mathrm {OM} }$ (Å)
---	---	---	---	---	---	---	---

@@ Line 1: / Line 1: @@
 {{Stub-water}}
-'''TIP4F''' is a flexible four-site model of [[water]]. The parameters are given in Table I of <ref>[http://dx.doi.org/10.1063/1.1418243 Michael W. Mahoney and William L. Jorgensen "Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions", Journal of Chemical Physics '''115''' pp. 10758-10768 (2001)]</ref>
+'''TIP4F''' is a flexible four-site model of [[water]]. The parameters are given in Table I of <ref>[http://dx.doi.org/10.1063/1.1418243 Michael W. Mahoney and William L. Jorgensen "Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions", Journal of Chemical Physics '''115''' pp. 10758-10768 (2001)]</ref>.
+==Parameters==
+[[Image:Four_site_water_model.png‎|center|400px]]
+{| style="width:75%; 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;)
+|-
+| --- || --- ||  --- || --- || --- || --- || --- || ---
+|}
 ==References==
 <references/>
 [[category: water]]
 [[category: models]]