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

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

## Revision as of 13:23, 17 September 2007

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

r (OH) (Å) | HOH , deg | (Å) | (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

- J. L. F. Abascal and C. Vega "A general purpose model for the condensed phases of water: TIP4P/2005", Journal of Chemical Physics,
**123**234505 (2005) - C. Vega, J. L. F. Abascal and I. Nezbeda, "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice", Journal of Chemical Physics,
**125**034503 (2006)