Molecular clusters of π-systems: theoretical studies of structures, spectra, and origin of interaction energies

Abstract

A review is given on the theoretical methods, the salient results obtained from high-level ab initio calculations for a wide variety of π-complexes. Emphasis is on the origin of some of the experimental features of these π-complexes. The state-of-the-art in the theoretical characterization of the π-complexes is also addressed.