Irkutsk State University

Laboratory of Quantum Chemistry

Research Areas

Development of based on the theory of Green functions methods for calculating the electronic structure of atoms and molecules , their software implementation and application for solving problems of quantum chemistry and molecular spectroscopy. el_st
theor Theoretical modeling of elementary acts of chemical transformations in the gas phase and solutions. Research of the reaction mechanisms of acetylene and its derivatives catalyzed by a superbase, investigation the structure of the catalytic center and the factors determining the regio- and stereoselectivity of these specific processes.