A model for the geometries of Van der Waals complexes

Publisher Website
Google Scholar
Abstract
Structures of Van der Waals complexes are predicted by a simple model based on electrostatic interaction between the monomers. Point multipoles are assigned to the atoms and embedded in hard spheres to represent short-range repulsions. Structures deduced for some 29 complexes are in agreement with experiment, and numerous predictions are made.

This publication has 0 references indexed in Scilit: