1. Bzhezovsky V.M. (Institute of Organic Chemistry, Kiev) a). Computer aided design of functional groups with assigned donor-acceptor properties. b) Superacceptor substituents.

2. Cheranovskii V.O. (Kharkov National University) Lattice models of low-dimensional and nanoscale materials. Numerical simulation of their magnetic propersties.

3. Glushkov V.N. (Dnepropetrovsk National University) A new methodology of excited states study by DFT methods.

4. Grebenyuk N.N. (STC "Institute for Single Crystals", Kharkov) Determining the mechanism of interaction of small inorganic molecules with Pd surface.

5. Hovorun D.M. (Institute of Molecular Biology and Genetics, Kiev) Theoretical study of the triple complexes of Ac-Base-Na+ type.

6. Ivanov V.V. (Kharkov National University) Parallel implementation of the state-specific multireference coupled cluster theory with CAS reference.

7. Kalugin O.N. (Kharkov National University) Structure and dynamics in electrolyte solutions confined by carbon nanotubes.

8. Kornii S. (Physico-Mechanical Institute, Lviv) Quantum-chemical and molecular dynamics investigation of physico-chemical properties of aluminium and magnesium alloys nanoclusters.

9. Kornilov M.Yu. (Kiev National University) Semi-carbo-meric molecules.

10. Lisnyak Yu.V. (Institute of Microbiology and Immunology, Kharkov) Molecular dynamics simulation of inclusion phenomena with cyclodextrins.

11. Luzanov A.V. (STC "Institute for Single Crystals", Kharkov) Analyzing molecular excited states within time-dependent density functional theory.

12. Pashynska V. (Institute for Low Temperature Physics and Engineering, Kharkov) Quantum chemical study of the geometry and energetic parameters of non-covalent complexes of the biologically active compounds and drugs with their molecular targets.

13. Rubin Yu.V. (Institute for Low Temperature Physics and Engineering, Kharkov) An ab initio post-Hartree-Fock study on complexes of DNA fragments with transition metal ions.

14. Shestopalova A.V. (Institute of Radiophysics and Electronics, Kharkov) The investigation of the interaction of derivatives of anticancer antibiotics with oligonucleotides matrixes by computer simulations.

15. Strizhak P.E. (Institute of Physical Chemistry, Kiev) DFT study of the Pt nanoclusters and the CO and O2 sorbion on them.

16. Turovskyj N.A. (Donetsk National University) Supramolecular activation of the organic peroxides by onium salts.

17. Zakharov I.I. (East Ukrainian National University, Lugansk) Theoretical research on the cluster structures of the metallic ions as catalysts for the activation of methane up to valuable chemical products.

18. Zub Yu.L. (Institute of Surface Chemistry, Kiev) Quantum-chemical approach to study the structure and sorption properties of calixcrowns.

19. Gorb L. (Jackson State University)

20. Kukueva V. (Fire Safety Institute, Cherkassy) Theoretical study of reactions in flames.

21. Okovytyy S.I. ()

22. Shishkin O.V. (STC "Institute for Single Crystals", Kharkov)