Ion Pair and Molecular Mechanics Force Fields

Characteristics Ion Pair and Shell Model Potentials Molecular Mechanics Potentials 

Finally, since they do not consider bonds, ion pair potentials are able to describe changes in coordination. In some areas, notably geophysical and glass simulations, this capability can be important because it allows the study of phase transitions, as we shall mention later in connection with applications. 

If we look at the functional forms of ion pair potentials and molecular mechanics force fields, we see that both force fields share Coulomb and van der Waals terms. It should therefore be possible to make use of the particular strengths of each force field by combining the two types in studies involving inorganic as well as oi anic components. 

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