Activity

Activity

 

  • Quantum chemical studies of structure and properties of the molecules and molecular complexes, clusters, and solid surfaces with emphasis at the catalytically active structures (homogenous and heterogeneous ctalytic sites, chemically modified solid surfaces), organometallic and biopolymer molecules
  • Quantum chemical sudies of chemisorption and catalytic reactions at the surfaces
  • Quantum chemical studies of electron transfer reactions 
  • Structure and thermodynamics of weakly-bound complexes
  • Development of new calculation methods for the assessment of thermodynamic properties of molecular complexes, clusters and surface structures