My research concentrates mostly on computational quantum chemistry. It focuses on the theoretical treatment of the spectroscopic effects: vibrational spectroscopy (IR and Raman) and nuclear magnetic resonance spectroscopy. In particular, I developed the so-called ESFF method (Effective Scaling Frequency Factor method) of harmonic frequency scaling, as an alternative to the commonly used SQMFF method (Scaled Quantum Mechanical Force Field method) of the force field scaling developed by prof. Peter Pulay. I carry/carried out research in the field of structural chemistry, cluster equilibria (QCE, i.e., Quantum Cluster Equilibrium theory of liquids, which is a combination of the statistical thermodynamic methods and methods of computational quantum chemistry), adsorption mechanisms on functionalized organosilica and carbonaceous materials etc. Recently I started research in the field of reaction mechanisms in phosphoroorganic chemistry.