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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
r (OH) (Å) |
HOH , deg |
(Å) |
(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
|
See also
References
- 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)