Alexander P. Shevchenko 21
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15 June 2026 Free Space and Natural Tilings in Metal–Organic Frameworks.
E. O. Bukhteeva, A. P. Shevchenko, V. A. Blatov Free Space and Natural Tilings in Metal–Organic Frameworks. Journal of Chemical Information and Modeling, 2026, 66 (15), 9099–9110. doi: 10.1021/acs.jcim.6c00930 IF 6.4
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6 August 2025 AI-guided ab initio molecular dynamics study of proton migration in a hydrated MOF for PEMFC applications.
Eman F. Shams, Hammed H.A.M. Hassan, Alexander P. Shevchenko, Yelizaveta A. Morkhova, Morsy Abu-Youssef AI-guided ab initio molecular dynamics study of proton migration in a hydrated MOF for PEMFC applications. International Journal of Hydrogen Energy, 2025, 162, 150736. doi: 10.1016/j.ijhydene.2025.150736 IF 8.3
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1 July 2025 Retrieving Data from Crystal Structures of Homoleptic Complexes: Secondary Building Units.
A. P. Shevchenko, A. A. Pershin & E. A. Morkhova Retrieving Data from Crystal Structures of Homoleptic Complexes: Secondary Building Units. Journal of Structural Chemistry, 2025, 66 (6), 1122–1146. doi: 10.1134/S0022476625060022 IF 1.4
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14 October 2024 Stability of inorganic ionic structures: the uniformity approach.
A. P. Shevchenko and V. A. Blatov Stability of inorganic ionic structures: the uniformity approach. Acta Crystallographica Section A, 2024, А80 (6), 446-456. doi: 10.1107/S2053273324009008 IF 2.1
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24 June 2022 Topological representations of crystal structures: generation, analysis and implementation in the TopCryst system.
Alexander P. Shevchenko, Aleksandr A. Shabalin, Igor Yu. Karpukhin & Vladislav A. Blatov Topological representations of crystal structures: generation, analysis and implementation in the TopCryst system. Science and Technology of Advanced Materials: Methods, 2022, 2(1), 250–265. doi: 10.1080/27660400.2022.2088041 IF 1.340
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6 May 2022 Mining Knowledge from Crystal Structures: Oxidation States of Oxygen-Coordinated Metal Atoms in Ionic and Coordination Compounds.
Alexander P. Shevchenko, Michail I. Smolkov, Junjie Wang, and Vladislav A. Blatov Mining Knowledge from Crystal Structures: Oxidation States of Oxygen-Coordinated Metal Atoms in Ionic and Coordination Compounds. Journal of Chemical Information and Modeling, 2022, 62 (10), 2332–2340. doi: 10.1021/acs.jcim.2c00080 IF 4.956
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1 April 2022 Topological methods for analysis and design of coordination polymers.
Eugeny V. Alexandrov, Alexander P. Shevchenko, Nadezhda A. Nekrasova and Vladislav A. Blatov Topological methods for analysis and design of coordination polymers. Russian Chemical Reviews, 2022, 91(4), 5032. doi: 10.1070/RCR5032 IF 6.926
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27 October 2021 Visualization and Quantification of Geometric Diversity in Metal–Organic Frameworks.
Thomas C. Nicholas, Eugeny V. Alexandrov, Vladislav A. Blatov, Alexander P. Shevchenko, Davide M. Proserpio, Andrew L. Goodwin, and Volker L. Deringer Visualization and Quantification of Geometric Diversity in Metal–Organic Frameworks. Chemistry of Materials, 2021, 33 (21), 8289–8300. doi: 10.1021/acs.chemmater.1c02439 IF 9.811
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20 July 2021 2.21 – Topology: ToposPro.
Vladislav A. Blatov, Eugeny V. Alexandrov, Alexander P. Shevchenko, 2.21 - Topology: ToposPro. In Comprehensive Coordination Chemistry III (Third Edition). Elsevier, 2021, 389–412. doi: 10.1016/B978-0-12-409547-2.14576-7
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5 January 2021 Simplify to understand: how to elucidate crystal structures?.
Alexander P. Shevchenko & Vladislav A. Blatov Simplify to understand: how to elucidate crystal structures? Structural Chemistry, 2021, 32 (2), 507–519. doi:10.1007/s11224-020-01724-4 IF 2.081
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16 July 2020 Topology versus porosity: what can reticular chemistry tell us about free space in metal-organic frameworks?.
Alexander P. Shevchenko, Eugeny V. Alexandrov, Andrey A. Golov, Olga A. Blatova, Alexandra S. Duyunova and Vladislav A. Blatov Topology versus porosity: what can reticular chemistry tell us about free space in metal-organic frameworks? Chemical Communications, 2020, 56 (67), 9616-9619. doi: 10.1039/D0CC04004E IF 6.164
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2 April 2020 The CSD and knowledge databases: from answers to questions.
Alexander P. Shevchenko, Roman A. Eremin and Vladislav A. Blatov The CSD and knowledge databases: from answers to questions. CrystEngCom, 2020, 22 (43), 7298–7307. doi: 10.1039/D0CE00265H IF 3.382
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7 October 2019 A universal algorithm for finding the shortest distance between systems of points.
I. A. Blatov, E. V. Kitaeva, A. P. Shevchenko and V. A. Blatov A universal algorithm for finding the shortest distance between systems of points. Acta Crystallographica Section A, 2019, 75 (6), 827-832. doi:10.1107/S2053273319011628 IF 4.647
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16 August 2019 From Topological Descriptors to Expert Systems: A Route to Predictable Materials.
Alexander P. Shevchenko, Eugeny V. Alexandrov, Olga A. Blatova, Denis E. Yablokov, Vladislav A. Blatov From Topological Descriptors to Expert Systems: A Route to Predictable Materials. In Materials Informatics: Methods, Tools and Applications, 107–147. doi: 10.1002/9783527802265.ch4
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18 April 2019 Novel Heterometallic Uranyl-Transition Metal Materials: Structure, Topology, and Solid State Photoluminescence Properties.
Germán E. Gomez, J. August Ridenour, Nicole M. Byrne, Alexander P. Shevchenko, and Christopher L. Cahill Novel Heterometallic Uranyl-Transition Metal Materials: Structure, Topology, and Solid State Photoluminescence Properties. Inorganic Chemistry, 2019, 58, 11, 7243-7254. doi: 10.1021/acs.inorgchem.9b00255 IF 4.700
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2 April 2019 Topological databases: why do we need them for design of coordination polymers?.
Eugeny V. Alexandrov, Alexander Shevchenko, and Vladislav A. Blatov Topological databases: why do we need them for design of coordination polymers? Crystal Growth & Design, 2019, 19 (5), 2604–2614. doi: 10.1021/acs.cgd.8b01721 IF 3.972
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27 March 2019 Topology: ToposPro.
Vladislav A.Blatov, Eugeny V.Alexandrov, Alexander P.Shevchenko Topology: ToposPro. In Comprehensive Coordination Chemistry (Reference Module in Chemistry, Molecular Sciences and Chemical Engineering), 2019. doi: 10.1016/B978-0-12-409547-2.14576-7
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29 December 2017 Topology of Intermetallic Structures: From Statistics to Rational Design.
Tatiana G. Akhmetshina, Vladislav A. Blatov, Davide M. Proserpio, and Alexander P. Shevchenko Topology of Intermetallic Structures: From Statistics to Rational Design. Accounts of Chemical Research, 2018, 51 (1), 21–30. doi: 10.1021/acs.accounts.7b00466 IF 20.955
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6 February 2017 Local Coordination versus Overall Topology in Crystal Structures: Deriving Knowledge from Crystallographic Databases.
Alexander P. Shevchenko, Igor A. Blatov, Elena V. Kitaeva, and Vladislav A. Blatov Local Coordination versus Overall Topology in Crystal Structures: Deriving Knowledge from Crystallographic Databases. Crystal Growth & Design, 2017, 17 (2), 774–785. doi: 10.1021/acs.cgd.6b01630 IF 3.972
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25 October 2016 Identification of solid oxygen-containing Na-electrolytes: An assessment based on crystallographic and economic parameters.
Falk Meutzner, Wolfram Münchgesang, Tilmann Leisegang, Robert Schmid, Matthias Zschornak, Mateo Ureña de Vivanco, Alexander P. Shevchenko, Vladislav A. Blatov, Dirk C. Meyer Identification of solid oxygen-containing Na-electrolytes: An assessment based on crystallographic and economic parameters. Crystal Research and Technology, 2016, 52 (1). doi: 10.1002/crat.201600223 IF 0.95
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13 February 2015 New knowledge and tools for crystal design: local coordination versus overall network topology and much more.
Eugeny V. Alexandrov, Alexander P. Shevchenko, Abdullah A. Asiri and Vladislav A. Blatov.New knowledge and tools for crystal design: local coordination versus overall network topology and much more. CrystEngComm, 2015, 17 (15), 2913-2924. doi: 10.1039/C4CE02418D IF 3.382
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