Abstract
The ways of using quantum-chemical methods in the spectro-chemistry of organic compounds are considered and the advances in the calculation of electronic and vibrational spectra are characterised. The effectiveness of the combined application of quantum-chemical and spectroscopic methods and the possibility of using LCAO-MO methods for the interpretation of ultraviolet, infrared, and Raman spectroscopic data in the study of molecular structure in the ground and excited states are demonstrated in relation to a number of examples.
The bibliography includes 134 references.