Centre for Catalysis Research and Innovation (CCRI), the University of Ottawa

NSERC Postdoctoral fellow (2002-2006) Department of Chemistry, Stanford University
Ph.D. (2002) York University, Governor General of Canada's Gold Medal (2002) for Academic Excellence
M.Sc. (1997), B.Sc. (1995) cum laude Moscow State University

RESEARCH INTERESTS:

• Quantum chemistry (ab initio, DFT and semiempirical methods)
• Molecular orbital theory and its applications to predict physical and chemical properties of species
• Spectroscopic methods and electrochemistry
• Coordination chemistry, bio-inorganic chemistry and organometallic chemistry
• Catalysis using transition metal complexes
• Magnetochemistry and studies of polynuclear transition-metal complexes

RESEARCH PROJECTS FOR UNDERGRADUATE STUDENTS:

Modeling of Reactions in Gas Phase and Solution. Understanding the mechanisms of reactions in solution is important as most reactions in everyday's life occur in solution. For many of these reactions there is no clear picture of the mechanism: is it a concerted reaction? what reaction intermediates are involved and can they be isolated or detected? what is the role of a catalyst? how important is the solvent? We use computational chemistry methods to study these problems. Studies of possible reaction mechanisms helps to elucidate the most relevant reaction pathways and understanding of the mechanism allow us to suggest changes that can improve reaction outcome. We have successfully used a variety of quantum mechanical methods to predict reactant/product structures, transition states and spectroscopic properties of the species involved.