| Issue Date | Title | Author(s) |
| 2021 | Ab initio calculations of electronic band structure of CdMnS semimagnetic semiconductors | Mehrabova, M. A.; Panahov, N. T.; Hasanov, N. H. |
| 2017 | Band gap calculation of bulk and monolayer transition metal dichalcogenides with new GVJ-2E approach within DFT framework | Gusakova, J.; Tay, B. K.; Wang, X.; Shiau, L. L.; Gusakov, V. E.; Borisenko, V. E. |
| 2017 | Electronic properties of graphene-based heterostructures | Skachkova, V. A.; Baranava, M. S.; Hvazdouski, D. C.; Stempitsky, V. R. |
| 2021 | Influence of exchange-correlation functional on the structural and electronic properties of periodic structures with transition metal atoms | Baranava, M. S. |
| 2018 | Non-flipping 13C spins near an NV center in diamond: hyperfine and spatial characteristics by density functional theory simulation of the C510[NV]H252 cluster | Nizovtsev, A. P.; Kilin, S. Ya.; Pushkarchuk, A. L.; Pushkarchuk, V. A.; Kuten, S. A.; Zhikol, O. A.; Schmitt, S.; Unden, T.; Jelezko, F. |
| 2018 | Spin splitting in band structures of BiTeX (X=Cl, Br, I) monolayers | Hvazdouski, D. C.; Baranava, M. S.; Stempitsky, V. R. |
| 2021 | Thermodynamic driving force in the formation of hexagonal-diamond Si and Ge nanowires | Scalise, E.; Sarikov, A.; Barbisan, L.; Marzegalli, A.; Migas, D. B.; Montalenti, F.; Miglio, L. |
| 2018 | Новые парамагнитные центры окраски SiV, GeV и SnV в алмазе для квантовых технологий: характеризация методами квантовой химии | Низовцев, А. П.; Килин, С. Я.; Пушкарчук, А. Л.; Кутень, С. А.; Пушкарчук, В. А.; Железко, Ф. |
