Complex beryllium amidoboranes: Structures, stability, and evaluation of their potential as hydrogen storage materials. - Elena I. Davydova; Anna S. Lisovenko; Alexey Y. Timoshkin (J. Comput. Chem., 2017)

Lewis acid stabilized group 13-15 element analogs of ethylene. - Anna V. Pomogaeva; Anna S. Lisovenko; Artem S. Zavgorodnii; Alexey Y. Timoshkin (J. Comput. Chem., 2023)

Structures and stability of I2 and ICl complexes with pyridine: Ab initio and DFT study. - Anna V. Pomogaeva; Anna S. Lisovenko; Alexey Y. Timoshkin (J. Comput. Chem., 2024)

Facile heterolytic bond splitting of molecular chlorine upon reactions with Lewis bases: Comparison with ICl and I2. - Anna V. Pomogaeva; Anna S. Lisovenko; Alexey Y. Timoshkin (J. Comput. Chem., 2025)

The Influence of the Solvation on the Bonding of Molecular Complexes of Diatomic Halogens With Nitrogen-Containing Donors and Their Stability With Respect to the Heterolytic Halogen-Halogen Bond Splitting. - Anna V. Pomogaeva; Anna S. Lisovenko; Alexey Y. Timoshkin (J. Comput. Chem., 2025)