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Artem Mitrofanov
Artem Mitrofanov
Verified email at radio.chem.msu.ru
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Database of two-dimensional hybrid perovskite materials: open-access collection of crystal structures, band gaps, and atomic partial charges predicted by machine learning
EI Marchenko, SA Fateev, AA Petrov, VV Korolev, A Mitrofanov, AV Petrov, ...
Chemistry of materials 32 (17), 7383-7388, 2020
1222020
Graph convolutional neural networks as “general-purpose” property predictors: the universality and limits of applicability
V Korolev, A Mitrofanov, A Korotcov, V Tkachenko
Journal of chemical information and modeling 60 (1), 22-28, 2019
692019
Pyridinedicarboxylic acid diamides as selective ligands for extraction and separation of trivalent lanthanides and actinides: DFT study
YA Ustynyuk, IP Gloriozov, SN Kalmykov, AA Mitrofanov, VA Babain, ...
Solvent Extraction and Ion Exchange 32 (5), 508-528, 2014
512014
Transferable and extensible machine learning-derived atomic charges for modeling hybrid nanoporous materials
VV Korolev, A Mitrofanov, EI Marchenko, NN Eremin, V Tkachenko, ...
Chemistry of Materials 32 (18), 7822-7831, 2020
342020
Relationships between distortions of inorganic framework and band gap of layered hybrid halide perovskites
EI Marchenko, VV Korolev, SA Fateev, A Mitrofanov, NN Eremin, ...
Chemistry of Materials 33 (18), 7518-7526, 2021
272021
Novel pyridine-containing azacrownethers for the chelation of therapeutic bismuth radioisotopes: Complexation study, radiolabeling, serum stability and biodistribution
BV Egorova, EV Matazova, AA Mitrofanov, GY Aleshin, AL Trigub, ...
Nuclear Medicine and Biology 60, 1-10, 2018
272018
Layer shift factor in layered hybrid perovskites: univocal quantitative descriptor of composition–structure–property relationships
EI Marchenko, VV Korolev, A Mitrofanov, SA Fateev, EA Goodilin, ...
Chemistry of Materials 33 (4), 1213-1217, 2021
262021
An (III)/Ln (III) solvent extraction: Theoretical and experimental investigation of the role of ligand conformational mobility
A Mitrofanov, N Andreadi, P Matveev, G Zakirova, N Borisova, S Kalmykov, ...
Journal of Molecular Liquids 325, 115098, 2021
232021
Interfacial self-assembly of porphyrin-based SURMOF/graphene oxide hybrids with tunable pore size: an approach toward size-selective ambivalent heterogeneous photocatalysts
AG Nugmanova, EA Safonova, AE Baranchikov, AR Tameev, AV Shkolin, ...
Applied Surface Science 579, 152080, 2022
202022
Machine-learning-assisted search for functional materials over extended chemical space
V Korolev, A Mitrofanov, A Eliseev, V Tkachenko
Materials Horizons 7 (10), 2710-2718, 2020
192020
Solid solutions of monazites and xenotimes of lanthanides and plutonium: Atomistic model of crystal structures, point defects and mixing properties
NN Eremin, EI Marchenko, VG Petrov, AA Mitrofanov, AS Ulanova
Computational Materials Science 157, 43-50, 2019
172019
Benzoazacrown compound: A highly effective chelator for therapeutic bismuth radioisotopes
EV Matazova, BV Egorova, EA Konopkina, GY Aleshin, AD Zubenko, ...
MedChemComm 10 (9), 1641-1645, 2019
162019
A search of a quantitative quantum-chemical approach for radiolytic stability prediction
A Smirnova, A Mitrofanov, P Matveev, T Baygildiev, V Petrov
Physical Chemistry Chemical Physics 22 (26), 14992-14997, 2020
102020
Testing a simple approach for theoretical evaluation of radiolysis products in extraction systems. A case of N, O-donor ligands for Am/Eu separation
PI Matveev, AA Mitrofanov, VG Petrov, SS Zhokhov, AA Smirnova, ...
RSC advances 7 (87), 55441-55449, 2017
92017
A search for a DFT functional for actinide compounds
A Mitrofanov, N Andreadi, V Korolev, S Kalmykov
The Journal of Chemical Physics 155 (16), 2021
82021
Investigating the Bismuth Complexes with Benzoazacrown Tri‐and Tetra‐Acetates
BV Egorova, EV Matazova, GY Aleshin, AD Zubenko, AV Pashanova, ...
European Journal of Inorganic Chemistry 2021 (33), 3344-3354, 2021
82021
Mass transport through defects in graphene layers
AA Eliseev, AS Kumskov, NS Falaleev, VG Zhigalina, AA Eliseev, ...
The Journal of Physical Chemistry C 121 (42), 23669-23675, 2017
82017
Size doesn’t matter: predicting physico-or biochemical properties based on dozens of molecules
K Karpov, A Mitrofanov, V Korolev, V Tkachenko
The Journal of Physical Chemistry Letters 12 (38), 9213-9219, 2021
72021
Heavy-element reactions database (HERDB): Relativistic ab initio geometries and energies for actinide compounds
N Andreadi, A Mitrofanov, P Matveev, A Volkova, S Kalmykov
Inorganic Chemistry 59 (18), 13383-13389, 2020
72020
Accelerated modeling of interfacial phases in the Ni-Bi system with machine learning interatomic potential
V Korolev, A Mitrofanov, Y Kucherinenko, Y Nevolin, V Krotov, ...
Scripta Materialia 186, 14-18, 2020
72020
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