Artem Mitrofanov
Artem Mitrofanov
Chemistry Dept., Moscow State University
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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
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
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
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
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
Layer shift factor in layered hybrid perovskites: univocal quantitative descriptor of compositionstructureproperty relationships
EI Marchenko, VV Korolev, A Mitrofanov, SA Fateev, EA Goodilin, ...
Chemistry of Materials 33 (4), 1213-1217, 2021
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
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
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
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
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
Simple automatized tool for exchangecorrelation functional fitting
A Mitrofanov, V Korolev, N Andreadi, V Petrov, S Kalmykov
The Journal of Physical Chemistry A 124 (13), 2700-2707, 2020
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
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
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
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
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
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
PyRad: A software shell for simulating radiolysis with Qball package
N Andreadi, A Mitrofanov, A Eliseev, P Matveev, S Kalmykov, V Petrov
Journal of Computational Chemistry 42 (13), 944-950, 2021
Neural network based modeling of grain boundary complexions localized in simple symmetric tilt boundaries σ3 (111) and σ5 (210)
VV Korolev, AA Mitrofanov, YM Nevolin, VV Krotov, DK Ulyanov, ...
Colloid Journal 82 (6), 689-695, 2020
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