Research focus
Our group is currently working on five areas of applications of quantum mechanics in chemistry. These are:
- Study of the mechanism of regioselective Diels-Alder reactions of unsymmetrical benzoquinones.
- Study of the effect of the coordination environment of Si and P atoms on the formation of SiO6 centers in hybrid silicophosphates and on the chemical screening of 29Si
- Study of the mechanism and role of hydrogen bonding in CO2 capture by amine sorbents
- Mechanisms of hyperfine splitting in transition metal complexes
- Investigation of the interaction of thioredoxin reductase with Au complexes with respect to the catalytic activity of this enzyme
Members of the group and the topics they are working on
Jan Gistr: Topic 2
Lukáš Volejníček: Topic 2
Michaela Nováková: Topic 3
Dora Cidlinská: Topic 4