TIP4P/2005f water model

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The TIP4P/2005f model is a flexible variant of the TIP4P/2005 model of water.


The TIP4P/2005f 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) Dr (kJ/mol) (1/nm) K() (kJ/(mol rad^2))
0.9419 107.4 3.1644 93.2 0 0.5564 -2q(H) 0.1546 432.581 22.87 367.810



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