Difference between revisions of "TIP4P model of water"

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{| style="width:75%; height:100px" border="1"
 
{| style="width:75%; height:100px" border="1"
 
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| abc || def || ghi
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| 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;)
 
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| jkl || mno || pqr
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| 0.9572 || 104.52 || 3.154 || 78.0 || 0 || 0.52 || -2q(H) || 0.15
 
|}
 
|}
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==See also==
 
==See also==
 
*[[TIP4P/2005]]
 
*[[TIP4P/2005]]

Revision as of 16:17, 5 June 2007

The TIP4P is a rigid planar model of water.

Parameters

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

See also

References

  1. 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)