A new potential for the description of intermolecular interactions for rigid biaxial molecules Original Research Article

We propose a five-parameter potential describing the intermolecular van der Waals interaction of rigid biaxial molecules. The energy anisotropy of the potential is calculated analytically from the shape anisotropy assuming a Gaussian density profile. The calculated potential is successfully fitted to realistic molecular mechanics data for the family of polyphenyls and bimethyl-polyphenyls.