| The role of QED effects in transition energies of heavy-atom alkaline earth monofluoride molecules: A theoretical study of Ba+, BaF, RaF, and E120F LV Skripnikov, DV Chubukov, VM Shakhova The Journal of Chemical Physics 155 (14), 2021 | 21 | 2021 |
| Compound-tunable embedding potential method and its application to calcium niobate crystal with point defects containing tantalum and uranium DA Maltsev, YV Lomachuk, VM Shakhova, NS Mosyagin, LV Skripnikov, ... Physical Review B 103 (20), 205105, 2021 | 20 | 2021 |
| Compound-tunable embedding potential method: analysis of pseudopotentials for Yb in YbF 2, YbF 3, YbCl 2 and YbCl 3 crystals VM Shakhova, DA Maltsev, YV Lomachuk, NS Mosyagin, LV Skripnikov, ... Physical Chemistry Chemical Physics 24 (32), 19333-19345, 2022 | 15 | 2022 |
| Compound-tunable embedding potential method to model local electronic excitations on -element ions in solids: Pilot relativistic coupled cluster study of Ce and Th … AV Oleynichenko, YV Lomachuk, DA Maltsev, NS Mosyagin, ... Physical Review B 109 (12), 125106, 2024 | 6 | 2024 |
| Quantum chemical study of structure of ionic complexes of I and II groups metals with xenon or krypton SG Semenov, VM Shakhova, MV Makarova Russian Journal of General Chemistry 85, 790-795, 2015 | 3 | 2015 |
| Chemical Shift of the Kα1 and Kα2 Lines of the X-ray Emission Spectrum of Yb(II)/Yb(III) Fluorides: a Quantum-Chemical Investigation VM Shakhova, SG Semenov, YV Lomachuk, YA Demidov, LV Skripnikov, ... Optics and Spectroscopy 124, 462-467, 2018 | 2 | 2018 |
| Chemical shifts of X-ray emission spectra and effective states of ytterbium in fluorides: Embedded cluster modeling of YbF2 and YbF3 crystals VM Shakhova, YV Lomachuk, YA Demidov, LV Skripnikov, NS Mosyagin, ... Radiation and Applications 2, 169, 2017 | 2 | 2017 |
| Electronic structure study of YNbTiO vs. CaNbO with U, Pu and minor actinide substitutions using compound-tunable embedding potential method DA Maltsev, YV Lomachuk, VM Shakhova, NS Mosyagin, DO Kozina, ... arXiv preprint arXiv:2310.20595, 2023 | 1 | 2023 |
| Quantum-chemical estimation of the relaxation of equilibrium structure upon radiochemical reactions of iodine-containing molecules and ions VM Shakhova, SG Semenov, AV Titov Russian Journal of General Chemistry 85, 2262-2267, 2015 | 1 | 2015 |
| Quantum chemical study of the electronic structure of ytterbium halides PA Khadeeva, VM Shakhova, YV Lomachuk, NS Mosyagin, LV Skripnikov, ... Moscow University Chemistry Bulletin 79 (4), 288-294, 2024 | | 2024 |
| Combined method for precise electronic-structure modeling of compounds of lanthanides and actinides based on the compound-tunable embedding potential AV Titov, VM Shakhova, YV Lomachuk, DA Maltsev, NS Mosyagin | | 2022 |
| Chemical Shifts of K α1 and K α2 Lines in X-ray Emission Spectra of Yb (II)/Yb (III) Fluorides: a Quantum Chemical Study VM Shakhova, SG Semenov, YV Lomachuk, YA Demidov, LV Skripnikov, ... Nonlinear Phenomena in Complex Systems 21 (1), 56-61, 2018 | | 2018 |
| Quantum chemical study of pentafluorophenylxenonium pentafluorobenzoate in the gas phase and acetonitrile solution VM Shakhova, SG Semenov, AV Titov Russian Journal of General Chemistry 85, 2816-2817, 2015 | | 2015 |
| MODELING THE STATE OF ACTINIDES IN CaNb2O6, YPO4 AND CePO4 CRYSTALS WITH THE COMPOUND-TUNABLE EMBEDDING POTENTIAL METHOD DA Maltsev, YV Lomachuk, VM Shakhova, NS Mosyagin, AV Titov ТЕЗИСЫ ДОКЛАДОВ Международной конференции «Моделирование синтеза и …, 0 | | |
| PRECISE THEORETICAL METHODS FOR STUDYING MATERIALS CONTAINING HEAVY TRANSITION METALS, LANTHANIDES, AND ACTINIDES: A NEW COMBINED APPROACH АV Titov, YV Lomachuk, DA Maltsev, VM Shakhova, NS Mosyagin | | |
Anatoly V. TitovHead of division and dept at NRC "Kurchatov institute" - PNPI & Professor of SPbSUכתובת אימייל מאומתת בדומיין pnpi.nrcki.ru