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Kinetics and thermodynamics of reactions in solution, general acid-base catalysis. Mechanism of bioorganic reactions by means of sterically strained substrates. Quantitative correlation of reactivity, steric effects in particular. Organic synthesis. Decontamination of polluted soils and water; environmental friendly corrosion inhibitors. Conformational analysis. Conformational and co-conformational dynamics and energetics of supramolecular functional systems and large rings with potential useful applications (modified and large-ring cyclodextrins, cyclodextrinic dimers, macrolide antibiotics, chiral solvating agents, pseudorotaxanes, [2]-, [3]rotaxanes and catenanes). Modeling of molecular crystals. Computational studies of reaction mechanisms and stereochemistry. Molecular design – drugs and photoelectronic materials. Biomolecular and supramolecular complexes and mechanisms. 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. Experimental and theoretical chemometrics (pharmaceutical and food analysis, NIR spectroscopy). WebSite
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