TIP4P/FQ model of water
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The TIP4P/FQ model [1] is a variant of the TIP4P model, which now incorporates fluctuating charges.
Parameters[edit]
| (Å) | HOH , deg | (Å) | (K) | q(O) (e) | q(H) (e) | q(M) (e) | (Å) |
| --- | --- | --- | --- | --- | --- | --- | --- |
Melting point[edit]
The Ice Ih-water melting point has been calculated to be [2].
References[edit]
- ↑ Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics 101 pp. 6141-6156 (1994)
- ↑ Benjamin F. Nicholson, Paulette Clancy and Steven W. Rick "The interface response function and melting point of the prism interface of ice Ih using a fluctuating charge model (TIP4P-FQ)", Journal of Crystal Growth 293 pp. 78-85 (2006)