Technetium and Rhenium Pentacarbonyl Complexes with C2 and C11 ω-Isocyanocarboxylic Acid Esters AE Miroslavov, YS Polotskii, VV Gurzhiy, AY Ivanov, AA Lumpov, ...
Inorganic chemistry 53 (15), 7861-7869, 2014
32 2014 Compound-tunable embedding potential: which oxidation state of uranium and thorium as point defects in xenotime is favorable? YV Lomachuk, DA Maltsev, NS Mosyagin, LV Skripnikov, RV Bogdanov, ...
Physical Chemistry Chemical Physics 22 (32), 17922-17931, 2020
21 2020 Reaction of technetium hexacarbonyl cation with acetonitrile: Kinetics, product structure, DFT calculations AE Miroslavov, GV Sidorenko, AA Lumpov, DN Suglobov, OV Sizova, ...
Journal of Organometallic Chemistry 720, 1-6, 2012
21 2012 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
19 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
13 2022 Hydrolysis of Hexacarbonyltechnetium(I) Cation: Formation and Structure of Technetium Carbonyl Hydride 99 Tc3 H(CO)14 AE Miroslavov, AP Shishkina, GV Sidorenko, VV Gurzhiy, DA Maltsev, ...
Inorganic Chemistry 59 (13), 9239-9243, 2020
10 2020 Reactivity of higher technetium carbonyls in CO replacement: A quantum chemical analysis GV Sidorenko, DA Maltsev, AE Miroslavov, DN Suglobov, VI Baranovskii, ...
Computational and Theoretical Chemistry 1093, 55-66, 2016
9 2016 DFT study of potential energy surfaces and conical intersection structures of Rhenium (I) tricarbonyl diimine complexes VI Baranovskii, DA Maltsev
Computational and Theoretical Chemistry 1043, 71-78, 2014
9 2014 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
5 2024 Reactivity of Tc (I) tetracarbonyl complexes GV Sidorenko, AE Miroslavov, DA Maltsev, AA Lumpov, YS Polotskii, ...
Radiochemistry 56, 156-161, 2014
4 * 2014 Excited-state potential surfaces of ruthenium nitrosyl complexes: conical intersections and the Jahn-Teller effect VI Baranovskii, DA Mal’tsev, OV Sizova
Russian Chemical Bulletin 61, 973-979, 2012
4 2012 Calculations of chemical shifts of x-ray emission spectra and effective states of Nb atom in the Niobates YV Lomachuk, DA Maltsev, YA Demidov, NS Mosyagin, LA Batalov, ...
Nonlinear Phenomena in Complex Systems 20 (2), 170, 2017
3 2017 Specific features of the cis labilization effect in the series of pentacarbonyltechnetium halides GV Sidorenko, DA Maltsev, AE Miroslavov, ES Stepanova, MY Tyupina, ...
Radiochemistry 59, 240-246, 2017
2 2017 Electronic structure study of YNbTiO DA Maltsev, YV Lomachuk, VM Shakhova, NS Mosyagin, DO Kozina, ...
arXiv preprint arXiv:2310.20595, 2023
1 2023 Compound-tunable embedding potential method and its application to ytterbium fluoride crystals YbF VM Shakhova, DA Maltsev, YV Lomachuk, NS Mosyagin, LV Skripnikov, ...
arXiv preprint arXiv:1911.04332, 2019
1 2019 Application of discrete-continuum solvation model in a quantum chemical study of technetium (I) pentacarbonyl bromide decarbonylation DA Mal’tsev, VI Baranovskii
Journal of Structural Chemistry 55, 816-821, 2014
1 2014 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 Which oxidation state of uranium and thorium as point defects in xenotime is favorable? YV Lomachuk, DA Maltsev, NS Mosyagin, LV Skripnikov, RV Bogdanov, ...
arXiv preprint arXiv:1911.00365, 2019
2019 Compound-tunable embedding potential method and its application to fersmite crystal DA Maltsev, YV Lomachuk, VM Shakhova, NS Mosyagin, LV Skripnikov, ...
arXiv preprint arXiv:1907.06947, 2019
2019 Valence Electronic Structure of CaNb 2 O 6 Crystal with Embedding Potential Method IV Abarenkov, VA Fedorova, DA Maltsev, AV Titov
NONLINEAR PHENOMENA IN COMPLEX SYSTEMS 20 (3), 216-227, 2017
2017 
Anatoly V. TitovHead of division and dept at NRC "Kurchatov institute" - PNPI & Professor of SPbSUEmail verificata su pnpi.nrcki.ru
