TIP4P model of water: Difference between revisions

Revision as of 16:25, 5 June 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

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 {| style="width:75%; height:100px" border="1"
 |-
-| r (OH) (&Aring;)|| <math>\angle</math>HOH , deg|| <math>\sigma</math> (&Aring;)|| <math>\epsilon/k</math> (K)|| q(O) || q(H) || q(M) || r (OM) (&Aring;)
+| 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