LABORATORY THEORETICAL CHEMISTRY

Research

Mechanism of proton transfer reactions in ground and excited state. Isotope effects. Influence of the solvent. Tautomerism of organic compounds. Intra- and intermolecular hydrogen bonding. Theoretical studies of structure and nonlinear optical properties of organic compounds: undoped and doped conjugated systems. Optical and chirooptical properties of helicenes. Study of electronic structure of organic compounds using quantum-chemical approaches and similarity. Quantum-chemical calculations of NMR parameters. Structure of coordination compounds. Sunscreens.

Personnel