Definitions for

**"Molecular Mechanics"**Various methods for calculating the potential energy of molecular systems as a function of the coordinates of their atomic nuclei, neglecting explicit treatment of electrons. Electronic effects are implicit in the analytic functional forms and parameterization. All methods use empirical data to determine individual force constants and equilibrium values for each geometric quantity.

The field encompassing molecular statics, or the construction of appropriate force fields for representing molecular systems and the associated potential energy minimizations.

a fast and approximate method for computing the structure and behavior of molecules or materials based on a series of assumptions that greatly simplify chemistry, for example, that atoms and the bonds that connect them behave like "balls and springs". The approximations make possible the study of large and complex systems, or the very rapid study of smaller systems, not possible with more accurate quantum mechanical methods.