The molecular research unit of the Department of Chemistry combines many complementary molecular and methodological approaches, both experimental and theoretical. The main directions of experimental studies are exhaled human air monitoring, photochemistry, low-temperature chemistry, fundamental reaction studies, gas kinetics, solid phase and surface reactions, and combustion chemistry. We actively develop infrared optical frequency combs, precision laser spectroscopy and mass spectrometric techniques, to name a few. In parallel to experimental techniques, we develop and employ a multitude of theoretical and computational methods.
Applications include large water clusters, the dynamics of chemical reactions on surfaces, and molecular spectroscopy. Thermodynamics and reactions of atmospheric species, bioinspired catalysis, biomolecules, weak interactions, and solar-cell chromophores are modelled. Methods for computing electronic currents, pathways, and aromaticity, and for performing computational quantum chemistry are developed.
The radiochemistry research is a part of molecular science research programme. The radiochemistry research is focused on four areas, the largest one of them being study on behaviour of radionuclides geosphere in reference to final disposal of spent nuclear fuel. Another are related to nuclear waste is the development of inorganic ion exchangers for the selective removal of radionuclides from nuclear waste effluents. Third area is radiopharmaceutical chemistry and fourth environmental radioactivity.