TIP4P model of water

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

Parameters

Four site water model.png


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

See also

The following is a list of models that build upon the TIP4P model:

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)
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