1. Theoretical modelling and preparation of molecules with expected properties.

2. Applications of quantum chemical methods in the study of the molecular and electronic structure and chemical reactivity of molecular systems.

3. Investigation of the electronic structure and related properties of metal-containing zeolites as well as their catalytic activity in activation of small molecules based on techniques of computational chemistry.

4. Spectroscopic & Photochemical studies of chemical systems.

5. Computer applications in Chemical research and education