TIP4P model of water: Difference between revisions

Revision as of 15:41, 4 July 2007

The TIP4P is a rigid planar model of water, having a similar geometry to the Bernal and Fowler (BF) model.

r (OH) (Å)	$\angle$ HOH , deg	$\sigma$ (Å)	$\epsilon /k$ (K)	q(O) (e)	q(H) (e)	q(M) (e)	r (OM) (Å)
0.9572	104.52	3.154	78.0	0	0.52	-2q(H)	0.15

@@ Line 3: / Line 3: @@
 {| style="width:75%; height:100px" border="1"
 |-
-| r (OH) (
+| r (OH) (&Aring;)|| <math>\angle</math>HOH , deg|| <math>\sigma</math> (&Aring;)|| <math>\epsilon/k</math> (K)|| q(O) (e) || q(H) (e) || q(M) (e) || r (OM) (&Aring;)
+|-
+| 0.9572 || 104.52 ||  3.154 || 78.0 || 0 || 0.52 || -2q(H) || 0.15
+|}
+==See also==
+*[[TIP4P/2005]]
+==References==
+#[http://dx.doi.org/10.1063/1.445869     William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura,      Roger W. Impey and Michael L. Klein "Comparison of simple potential functions for simulating liquid water", Journal of Chemical Physics '''79''' pp. 926-935 (1983)]
+[[category:models]]
+[[category:water]]