Difference between revisions of "TIP4P/2005 model of water"

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TIP4P/2005 is a rigid planar model, having a similar geometry to the Bernal and  Fowler ([[BF]]) model.
 
TIP4P/2005 is a rigid planar model, having a similar geometry to the Bernal and  Fowler ([[BF]]) model.
 
==Parameters==
 
==Parameters==
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[[Image:Water_empirical1.png|center|300px]]
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Revision as of 12:34, 14 February 2008

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The TIP4P/2005 model is a re-parameterisation of the original TIP4P potential for simulations of water. TIP4P/2005 is a rigid planar model, having a similar geometry to the Bernal and Fowler (BF) model.

Parameters

Water empirical1.png
r (OH) (Å) \angleHOH , deg \sigma (Å) \epsilon/k (K) q(O) (e) q(H) (e) q(M) (e) r (OM) (Å)
0.9572 104.52 3.1589 93.2 0 0.5564 -2q(H) 0.1546

References