E3B water model

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The E3B (explicit three-body) model[1][2] of water.

Parameters[edit]

The E3B potential is given by

where

where represents the TIP4P model of water, kJ/mol, Å-1, and

where kJ/mol, kJ/mol, and kJ/mol.

E3B2[edit]

[3]

E3B3[edit]

[4]

References[edit]