Modification and its influence on properties of metal surfaces. Quantum-chemistry modeling of catalytic processes.
Russian, English (Intermediate)
- 2021 – Present: Research Assistant, the Laboratory of Molecular Modeling and Chemoinformatics, Lobachevsky State University of Nizhny Novgorod
The development of stereoselective catalytic systems is one of the key problems of modern physical chemistry. Designing of the special orienting covering on the catalyst surface, which willguide the reaction in the right way, with the only one of stereoisomers, might be one of the approaches to solve this problem. The work is devoted to the theoretical design of such coverings and verification of their orienting action in the adsorption of chiral compounds.
DFT, DFTB, semi-empirical.