Editing TIP4P/Ice model of water
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The '''TIP4P/ | {{Stub-water}} | ||
{{Numeric}} | |||
is a re-parameterisation of the [[TIP4P]] potential for simulations of [[ice phases]]. | The '''TIP4P/ice''' model is a re-parameterisation of the original [[TIP4P]] potential for simulations of [[ice phases]]. | ||
TIP4P/ | TIP4P/ice is a rigid planar model, having a similar geometry to the Bernal and Fowler ([[BF]]) model. | ||
==Parameters== | ==Parameters== | ||
[[Image: | [[Image:Water_empirical1.png|center|300px]] | ||
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| 0.9572 || 104.52 || 3.1668 || 106.1 || 0 || 0.5897 || -2q(H) || 0.1577 | | 0.9572 || 104.52 || 3.1668 || 106.1 || 0 || 0.5897 || -2q(H) || 0.1577 | ||
|} | |} | ||
==References== | |||
*[http://dx.doi.org/10.1063/1.1931662 L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, '''122''' 234511 (2005)] | |||
*[http://dx.doi.org/10.1063/1.2215612 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)] | |||
[[Category: Water]] | [[Category: Water]] | ||
[[Category: Models]] | [[Category: Models]] |