| Density Functional Theory Modeling of Reactions of Addition of H2 Molecules to Magnesium Clusters Mg17M Doped with Atoms M of Transition 3d Elements OP Charkin, AP Maltsev The Journal of Physical Chemistry A 125 (11), 2308-2315, 2021 | 18 | 2021 |
| Theoretical Modeling of Stepwise Addition of H2 Molecules to Magnesium Clusters Mg18 and Mg17Ni AP Maltsev, OP Charkin Russian Journal of Inorganic Chemistry 65, 185-192, 2020 | 9 | 2020 |
| Theoretical Modeling of Addition Reactions of an H2 Molecule to Mg17L Magnesium Clusters Doped with 3d Metals AP Maltsev, OP Charkin Russian Journal of Inorganic Chemistry 65, 1204-1212, 2020 | 8 | 2020 |
| Theoretical Modeling of Exo- and Endohedral Hydrogenation Reactions of the Doped Magnesium Cluster Mg17Ni AP Maltsev, OP Charkin Russian Journal of Inorganic Chemistry 66, 1860-1867, 2021 | 7 | 2021 |
| Ultralow reaction barriers for CO oxidation in Cu–Au nanoclusters AA Mikhailova, SV Lepeshkin, VS Baturin, AP Maltsev, YA Uspenskii, ... Nanoscale 15 (33), 13699-13707, 2023 | 5 | 2023 |
| Ionic Conductivity of Lithium Phosphides AP Maltsev, IV Chepkasov, AG Kvashnin, AR Oganov Crystals 13 (5), 756, 2023 | 4 | 2023 |
| Order–Disorder Phase Transition and Ionic Conductivity in a Li2B12H12 Solid Electrolyte AP Maltsev, IV Chepkasov, AR Oganov ACS Applied Materials & Interfaces 15 (36), 42511-42519, 2023 | 1 | 2023 |
| Thermodynamic stability and ionic conductivity in lithium–germanium binary system AV Iosimovska, AP Maltsev, IV Chepkasov, AR Oganov Applied Physics Letters 124 (16), 2024 | | 2024 |
| New promising class of anode materials for Ca-ion battery: polyaromatic hydrocarbons AP Maltsev, IV Chepkasov, AR Oganov Materials Today Energy 39, 101467, 2024 | | 2024 |
