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Scientific interests:

• Quantum-chemical
  studies of inorganic materials, including transition metals, oxides and
  chalcogenides, with catalytic and photo-catalytic properties. Examining
  stability, structure-properties relationship, reaction mechanisms, catalytic
  active sites, and chemical dynamics.   
• Crystal structure modelling of transition metal oxides, zeoltes and zeolite-related aluminophosphates
  using ab-initio methods.

Selected papers:

1. E. L. Uzunova
   “Cation pair formation in copper and palladium exchanged MFI zeolite frameworks – a theoretical study”,
   Phys. Chem. Chem. Phys., 2019, 21, 14786-14798.
2. E. L. Uzunova
   “Pathways of selective catalytic CO₂ two-step reduction on di-iron, di-cobalt and iron-cobalt disulfide carbonyls – an electronic structure study”,
   Catal. Sci. Technol., 2019, 9, 1039-1047.