Intermolecular Interactions

From SklogWiki
Jump to navigation Jump to search

Most of the molecules cannot be modelled using spherical interactions. Different strategies have been used to represent the anisotropy of intermolecular interactions:

Site-site intermolecular potentials

Within this approach a given molecule is represented by a number of interaction sites (which can correspond to atoms, chemical groups, etc.). This site can be Lennard-Jones center, point charges, point dipoles, etc.