1. Modelling photo-dynamics of molecular motors and switches. (MOLMOTDYN website).
 Representative publications:  118 ,  113 ,  111 ,  109 ,  103 ,  102 ,  99 , 85 , 79 

2. Density functional theory description of excited states of atoms and molecules.
 Representative publications: 103 , 102 ,86 ,74 ,69 , 34 , 29 , 22

3. Development of density functional theory methods for description of strong non-dynamic correlation.
 Representative publications: 46 , 42 , 41 , 42 , 35 , 28 , 27 , 25 , 24 , 23 , 15

4. Development of the exact two-component relativistic methods and approximate quasi-relativistic methods applicable within both density functional theory and wave function theory.
 Representative publications: 101 ,93 ,87 ,85 ,63 , 61 , 59 , 58 , 51 , 48 , 44 , 38

5. Theoretical modeling of hyperfine and Mössbauer parameters.
 Representative publications: 97 ,96 ,94 ,91 ,90 ,77 ,73 , 72 , 71 , 72 , 53

6. Application of the relativistic methods of quantum chemistry to study unusual types of chemical bonding.
 Representative publications: 75 ,68 , 46 , 45

7. Accurate determination of thermochemical parameters of compounds of heavy elements.
 Representative publications: 67 , 54 , 43

8. Theoretical calculation of NMR chemical shieldings and indirect nuclear spin-spin coupling constants.
 Representative publications: 76 ,52 , 50

9. Development of orbital-dependent density functionals and optimized effective potential method.
 Representative publications: 81 ,70 , 65

10. Theoretical description of magnetic coupling in transition metal compounds and organic molecular crystals.
 Representative publications: 84 ,82 ,66 , 62 , 60 , 55

11. Theoretical study of structure and reactivity of biological molecules.
 Representative publications: 76 ,33 , 32 , 31 , 30 , 21 , 20 , 19



Top of the page