Intermolecular Interactions: Difference between revisions
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== Site-site intermolecular potentials == | == Site-site intermolecular potentials == | ||
Within this approach a given molecule is represented by | Within this approach a given molecule is represented by several | ||
interaction sites (which can correspond to atoms, chemical groups, etc.). | interaction sites (which can correspond to atoms, chemical groups, etc.). | ||
These sites can be [[Lennard-Jones]] centers, point charges, point dipoles, etc. | These sites can be [[Lennard-Jones]] centers, point charges, point dipoles, etc. | ||
Revision as of 14:20, 22 February 2007
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 several interaction sites (which can correspond to atoms, chemical groups, etc.). These sites can be Lennard-Jones centers, point charges, point dipoles, etc.