TIP4P-I

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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

References[edit]

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