Isu - Laboratory of Quantum Chemistry and Laboratory of Quantum Chemical Modeling of Molecular Systems Laboratory of Quantum Chemistry and Laboratory of Quantum Chemical Modeling of Molecular Systems

Laboratory of Quantum Chemistry and Laboratory of Quantum Chemical Modeling of Molecular Systems


 

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.