Abstract

In this chapter we should like to examine, from a theoretical viewpoint, the factors affecting the structure and spectra of molecular complexes. This subject has recently been thoroughly reviewed by Mulliken and Person1,2; here we shall review it briefly, with emphasis on vibrational spectroscopy, and include some new results, in section 1.3, from approximate all-electron quantum mechanical calculations of whole-complex molecular orbitals. In general, we shall try to follow the nomenclature of Mulliken and Persons1, and we shall refer the reader to that text for historical discussion and for a more thorough treatment of some aspects.

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