TIP4P-Ew model of water

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The TIP4P-Ew water model is a re-parameterisation of the standard TIP4P model for use with Ewald techniques [1] [2].


These parameters are taken from Ref. 1 Table I:

(Å) HOH , deg (Å) (kcal.mol-1) q(O) (e) q(H) (e) q(M) (e) (Å)
0.9572 104.52 3.16435 0.162750 0 0.52422 -2q(H) 0.1250

Liquid-vapour equilibria[edit]


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