Compound-tunable embedding potential method and its application to calcium niobate crystal DA Maltsev, YV Lomachuk, VM Shakhova, NS Mosyagin, LV Skripnikov, ...
Physical Review B 103 (20), 205105, 2021
17 2021 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
15 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
10 2022 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 K α1 and K α2 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 Compound-tunable embedding potential method to model local electronic excitations on AV Oleynichenko, YV Lomachuk, DA Maltsev, NS Mosyagin, ...
Physical Review B 109 (12), 125106, 2024
1 2024 Electronic structure study of YNbTiO 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 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 
Anatoly V. TitovHead of division and dept at NRC "Kurchatov institute" - PNPI & Professor of SPbSUDirección de correo verificada de pnpi.nrcki.ru
