TIP4P-I: Difference between revisions
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Carl McBride (talk | contribs) (Created page with "The '''TIP4P-I''' (interpolated) model <ref>[http://dx.doi.org/10.1016/j.molliq.2006.08.018 Ariel A. Chialvo, Albert Bartók and András Baranyai "On the re-engineered TIP4P wate...") |
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Latest revision as of 14:24, 20 January 2011
The TIP4P-I (interpolated) model [1] is a rigid planar four-site interaction potential for water, having a similar geometry to the Bernal and Fowler model, which was proposed in 1933.
Parameters[edit]
The TIP4P-I model consists of a Lennard-Jones site for the oxygen atom, and three charge sites.
(Å) | HOH , deg | (Å) | (K) | q(O) (e) | q(H) (e) | q(M) (e) | (Å) |
0.9572 | 104.52 | 3.1630 | 93.90 | 0 | 0.5673 | -2q(H) | 0.1556 |