PUB20240909 9 сентября 2024 г. 
Topology of Intermetallic Crystals: Classification, Uniformity, and Transitions.

Olga A. Blatova, Tikhon D. Slavnov, Anastasiya D. Afanasieva, Alexei M. Grebennikov, Vladislav A. Blatov Topology of Intermetallic Crystals: Classification, Uniformity, and Transitions. Inorganic Chemistry, 2024, 63 (38), 17881–17890. doi: 10.1021/acs.inorgchem.4c03033 IF 4.3

 
9 сентября 2024 г. 
Topological relations between crystal structures: a route to predicting inorganic materials.

Natalia A. Kabanova, Ekaterina A. Grishina, Vladislav T. Osipov, Valeria E. Pavlova, Maria A. Solodovnikova, Artem A. Kabanov & Vladislav A. Blatov Topological relations between crystal structures: a route to predicting inorganic materials. Structural Chemistry, 2024. doi: 10.1007/s11224-024-02379-1 IF 2.1

 
PUB20240828 28 августа 2024 г. 
Extended Modeling and Experimental Study of the Li+-Ionic Conductivity in Li1.5+xAl0.5Ge1.5SixP3–xO12, x = 0; 0.1.

Svetlana V. Pershina, Yelizaveta A. Morkhova, Artem A. Kabanov, Kirill S. Okhotnikov, Eugene A. Filippov, Vladimir A. Elterman, Tamara A. Kuznetsova, Vladimir I. Voronin, George N. Starostin Extended Modeling and Experimental Study of the Li+-Ionic Conductivity in Li1.5+xAl0.5Ge1.5SixP3–xO12, x = 0; 0.1. The Journal of Physical Chemistry C, 2024, 128 (36), 14871–14879. doi: 10.1021/acs.jpcc.4c02613 IF 3.3

 
PUB20240718 18 июля 2024 г. 
Migration paths of the Na+-ion diffusion for minerals of the lovozerite group: crystallochemical and DFT modeling.

Natalia A. Kabanova Migration paths of the Na+-ion diffusion for minerals of the lovozerite group: crystallochemical and DFT modeling. CrystEngComm, 2024, 26 (31), 4156–4166. doi: 10.1039/D4CE00545G IF 2.6

 
PUB20240717 17 июля 2024 г. 
A Sodium Germanosilicide with Unusual Network Topology.

Julia-Maria Hübner, Thomas B. Shiell, Piotr A. Guńka, Shuo Tao, Li Zhu, Mads Fonager Hansen, Emma S. Bullock, Stella Chariton, Vitali B. Prakapenka, Yingwei Fei, Vladislav A. Blatov, Davide M. Proserpio, and Timothy A. Strobel A Sodium Germanosilicide with Unusual Network Topology. Journal of the American Chemical Society, 2024, 146 (30), 20544–20549. doi: 10.1021/jacs.4c03960 IF 16.383

 
PUB20240615 15 июня 2024 г. 
High-throughput search for new solid-state sodium-conducting materials among polyanionic oxides.

Yelizaveta A. Morkhova, Alexander V. Antonyuk & Irina A. Naugolnova High-throughput search for new solid-state sodium-conducting materials among polyanionic oxides. Journal of Solid State Electrochemistry, 2024, 28 (10), 3665–3671. doi: 10.1007/s10008-024-05965-9 IF 2.5

 
PUB20240604 4 июня 2024 г. 
A set of new promising solid chalcogenides for Na-ion batteries: yield from the crystal chemical, Monte-Carlo and quantum-chemical calculations.

Yelizaveta A. Morkhova, Alexander V. Antonyuk, Artem A. Kabanov, Vladislav A. Blatov A set of new promising solid chalcogenides for Na-ion batteries: yield from the crystal chemical, Monte-Carlo and quantum-chemical calculations. ChemPhysChem, 2024, 25 (18), e202400067. doi: 10.1002/cphc.202400067 IF 3.181

 
PUB20240416 25 апреля 2024 г. 
Exhaustive Study of Electrical Conductivity in the MNb2-xTixO6-0.5x (M = Mg, Ca, Zn; x = 0, 0.1, 0.2) Columbite.

Yelizaveta Morkhova, Mariia Koroleva, Anastasia Egorova, Aleksei Krasnov, Inna Starostina and Artem Kabanov Exhaustive Study of Electrical Conductivity in the MNb2-xTixO6-0.5x (M = Mg, Ca, Zn; x = 0, 0.1, 0.2) Columbites. ECS Advances, 2024, 3 (2), 024504. doi: 10.1149/2754-2734/ad3f31

 
PUB20240324-2 25 марта 2024 г. 
Machine Learning As a Tool to Accelerate the Search for New Materials for Metal-Ion Batteries.

V. T. Osipov, M. I. Gongola, Ye. A. Morkhova, A. P. Nemudryi & A. A. Kabanov Machine Learning As a Tool to Accelerate the Search for New Materials for Metal-Ion Batteries. Doklady Mathematics, 2023, 108 (Suppl 2), S476–S483. doi: 10.1134/S1064562423701612 IF 0.6

 
PUB20240322 22 марта 2024 г. 
Comprehensive study of the synthetic tychite, Na6Mg2(CO3)4SO4: synthesis, structure and conductive properties.

Alexander A. Shindrov and Yelizaveta A. Morkhova Comprehensive study of the synthetic tychite, Na6Mg2(CO3)4SO4: synthesis, structure and conductive properties. Dalton Transactions, 2024, 53 (15), 6618–6624. doi: 10.1039/D4DT00396A IF 4.0

 
PUB20240224 24 февраля 2024 г. 
Extensive research of conductivity in the fluorite-like KLn4Mo3O15F (Ln = La, Pr, Nd) rare earth molybdates: theoretical and experimental data.

Ekaterina I. Orlova, Yelizaveta A. Morkhova, Anastasia V. Egorova, Artem A. Kabanov, Egor D. Baldin, Elena P. Kharitonova, Nikolay V. Lyskov, Vasiliy O. Yapaskurt, Olga A. Alekseeva, Valentina I. Voronkova and Daniil V. Korona Extensive research of conductivity in the fluorite-like KLn4Mo3O15F (Ln = La, Pr, Nd) rare earth molybdates: theoretical and experimental data. Physical Chemistry Chemical Physics, 2024, 26 (9), 7772–7782. doi: 10.1039/D3CP06134E IF 3.3

 
PUB20240219 19 февраля 2024 г. 
Theoretical study of the oxygen ion conductivity and modeling new hollandite-type structures LnM6O12 (Ln = Pr, Nd; M = Ti, Nb, Mo).

Natalia A. Kabanova Theoretical study of the oxygen ion conductivity and modeling new hollandite-type structures LnM6O12 (Ln = Pr, Nd; M = Ti, Nb, Mo). Computational and Theoretical Chemistry, 2024, 1234, 114516. doi: 10.1016/j.comptc.2024.114516 IF 2.8

 
24 января 2024 г. 
Mechanical properties of porous materials based on new triply periodic and minimal surfaces.

Anton V. Eremin, Michael A. Frolov, Alexander F. Krutov, Michael I. Smolkov, Alexander S. Shulga, Dmitry M. Bragin, Andrey I. Popov & Vladislav A. Blatov Mechanical properties of porous materials based on new triply periodic and minimal surfaces. Mechanics of Advanced Materials and Structures, 2024. doi: 10.1080/15376494.2024.2303724 IF 3.338

 
PUB20240118 18 января 2024 г. 
Topological Analysis and Structural Role of Silicon Motifs in Metal Silicides.

Inna V. Medrish, Maria A. Solodovnikova, Artem A. Kabanov, and Vladislav A. Blatov Topological Analysis and Structural Role of Silicon Motifs in Metal Silicides. Crystal Growth & Design, 2024, 24 (3), 1308–1318. doi: 10.1021/acs.cgd.3c01282 IF 3.8

 
20240111-01 25 декабря 2023 г. 
The AM-4 Family of Layered Titanosilicates: Single-Crystal-to-Single-Crystal Transformation, Synthesis and Ionic Conductivity.

Galina O. Kalashnikova, Sergey V. Krivovichev, Victor N. Yakovenchuk, Ekaterina A. Selivanova, Margarita S. Avdontсeva, Gregory Yu. Ivanyuk, Yakov A. Pakhomovsky, Darya V. Gryaznova, Natalya A. Kabanova, Yelizaveta A. Morkhova, Olga Yu. Sinel’shchikova, Vladimir N. Bocharov, Anatoly I. Nikolaev, Olga F. Goychuk, Sergei N. Volkov and Taras L. Panikorovskii The AM-4 Family of Layered Titanosilicates: Single-Crystal-to-Single-Crystal Transformation, Synthesis and Ionic Conductivity. Materials, 2024, 17(1), 111. doi: 10.3390/ma17010111 IF 3.4

 
20240204-01 23 декабря 2023 г. 
High-throughput screening of oxygen ion conductors with BaaXbOc and SrdYeOf compositions: Crystallochemical and DFT-calculations.

Natalia A. Kabanova, Marya A. Galstyan, Eugeny I. Frolov High-throughput screening of oxygen ion conductors with BaaXbOc and SrdYeOf compositions: Crystallochemical and DFT-calculations. Solid State Ionics, 2024, 405, 116423. doi: 10.1016/j.ssi.2023.116423 IF 3.2

 
PUB20231221 21 декабря 2023 г. 
The effect of lithium sources and thermal treatment on the structure and electrochemistry of Li1.2Ti0.4Mn0.4O2 and Li1.3Nb0.3Mn0.4O2 cathodes.

Olga A. Podgornova, Kseniya V. Mishchenko, Maria A. Kirsanova, Daria O. Semykina, Yelizaveta A. Morkhova & Nina V. Kosova The effect of lithium sources and thermal treatment on the structure and electrochemistry of Li1.2Ti0.4Mn0.4O2 and Li1.3Nb0.3Mn0.4O2 cathodes. Journal of Solid State Electrochemistry, 2024, 28 (7), 2351–2362. doi: 10.1007/s10008-023-05781-7 IF 2.5

 
PUB20231215 15 декабря 2023 г. 
A Novel Class of Multivalent Ionic Conductors of the La3CuSiS7 Structure Type: the Results of Stepwise ICSD Screening.

Artem A. Kabanov, Yelizaveta A. Morkhova, Vladislav Osipov, Manuel Rothenberger, Tilmann Leisegang and Vladislav A. Blatov A Novel Class of Multivalent Ionic Conductors of the La3CuSiS7 Structure Type: the Results of Stepwise ICSD Screening. Physical Chemistry Chemical Physics, 2024, 26 (3), 2622–2628. doi: 10.1039/D3CP04510B IF 3.3

 
PUB20231123 22 ноября 2023 г. 
Stability of intermetallic compounds: Geometrical and topological aspects.

Olga A. Blatova, Maria A. Solodovnikova, Ekaterina M. Egorova, Vladislav A. Blatov Stability of intermetallic compounds: Geometrical and topological aspects. Intermetallics, 2024, 164, 108124. doi: 10.1016/j.intermet.2023.108124 IF 4.4

 
PUB20231114 14 ноября 2023 г. 
Hierarchical topological analysis of crystal structures: the skeletal net concept.

Blatova O. A. and Blatov V. A. Hierarchical topological analysis of crystal structures: the skeletal net concept. Acta Crystallographica Section A, 2024, 80 (1), 65–71. doi:10.1107/S2053273323008975 IF 2.290

 
PUB20231027 27 октября 2023 г. 
Theoretical and Experimental Study of the Structure and Electrochemical Properties of V-Doped TiNb2O7 Anode for Lithium-Ion Batteries.

Dmitry Z. Tsydypylov, Artem A. Kabanov, Yelizaveta A. Morkhova, Kirill S. Okhotnikov, and Nina V. Kosova Theoretical and Experimental Study of the Structure and Electrochemical Properties of V-Doped TiNb2O7 Anode for Lithium-Ion Batteries. The Journal of Physical Chemistry C, 2023, 127 (44), 21829–21840. doi: 10.1021/acs.jpcc.3c05633 IF 3.7

 
PUB20230819 19 августа 2023 г. 
First Finding of High-Pressure Modifications of Na2CO3 and K2CO3 with sp3-Hybridized Carbon Atoms.

Pavel N. Gavryushkin, Nursultan E. Sagatov, Dinara N. Sagatova, Altyna Bekhtenova, Maksim V. Banaev, Eugeny V. Alexandrov, and Konstantin D. Litasov First Finding of High-Pressure Modifications of Na2CO3 and K2CO3 with sp3-Hybridized Carbon Atoms. Crystal Growth & Design, 2023, 23 (9), 6589–6596. doi: 10.1021/acs.cgd.3c00507 IF 3.8

 
PUB20230819 19 августа 2023 г. 
Comprehensive study of conductivity in the series of monoclinic oxymolybdates: Ln2MoO6 (Ln = Sm, Gd, Dy).

Yelizaveta A. Morkhova, Ekaterina I. Orlova, Artem A. Kabanov, Timofei A. Sorokin, Anastasia V. Egorova, Artem R. Gilev, Elena P. Kharitonova , Nikolay V. Lyskov, Valentina I. Voronkova, Natalia A. Kabanova Comprehensive study of conductivity in the series of monoclinic oxymolybdates: Ln2MoO6 (Ln = Sm, Gd, Dy). Solid State Ionics, 2023, 400, 116337. doi: 10.1016/j.ssi.2023.116337 IF 3.2

 
PUB20230723 26 июля 2023 г. 
Zinc(II) complexes of 3,5-bis(4-pyridyl)-1H-1,2,4-triazole: synthesis, the role of counter-anions in the formation of a type of crystal structure, and luminescence properties.

Alexey N. Gusev, Elena V. Braga, Ekaterina A. Zamnius, Igor A. Nauhatskiy, Maria A. Kryukova, Mikhail A. Kiskin, Eugeny V. Alexandrov, Andrey V. Sokolov, Wolfgang Linert Zinc(II) complexes of 3,5-bis(4-pyridyl)-1H-1,2,4-triazole: synthesis, the role of counter-anions in the formation of a type of crystal structure, and luminescence properties. Polyhedron, 2023, 243, 116573. doi: 10.1016/j.poly.2023.116573 IF 2.6

 
PUB20230723-0706 6 июля 2023 г. 
Impacts of Alkali Metals on the Structures and Properties of Fe(III) Heterometallic Cyclobutane-1,1-dicarboxylate Complexes.

Daniil O. Blinou, Ekaterina N. Zorina-Tikhonova, Julia K. Voronina, Maxim A. Shmelev, Anna K. Matiukhina, Pavel N. Vasilyev, Nikolay N. Efimov, Eugeny V. Alexandrov, Mikhail A. Kiskin, and Igor L. Eremenko Impacts of Alkali Metals on the Structures and Properties of Fe(III) Heterometallic Cyclobutane-1,1-dicarboxylate Complexes. Crystal Growth & Design, 2023, 23 (8), 5571–5582. doi: 10.1021/acs.cgd.3c00201 IF 3.8

 
PUB20230522 22 мая 2023 г. 
Novel Topological Motifs and Superconductivity in Li-Cs System.

Hong-Mei Huang, Qiang Zhu, Vladislav A. Blatov, Artem R. Oganov, Xiaoting Wei, Peng Jiang, and Yan-Ling Li Novel Topological Motifs and Superconductivity in Li-Cs System. Nano Letters, 2023, 23 (11), 5012–5018. doi: 10.1021/acs.nanolett.3c00875 IF 12.262

 
PUB20230519 19 мая 2023 г. 
Four metal-organic frameworks for the sensing of oxytetracycline/nitrofurazone and Fe3+ ions.

Xu-Peng Zhang, Lianshe Fu, Olga A. Blatova, Guang-Hua Cui Four metal-organic frameworks for the sensing of oxytetracycline/nitrofurazone and Fe3+ ions. Journal of Solid State Chemistry, 2023, 324, 124124. doi: 10.1016/j.jssc.2023.124124 IF 3.656

 
PUB20230508 8 мая 2023 г. 
Activation Energy of Ion Diffusion in an Electrode Material: Theoretical Calculation and Experimental Estimation with LiCoVO4 as an Example.

Kirill S. Rybakov, Arseni V. Ushakov, and Artem A. Kabanov Activation Energy of Ion Diffusion in an Electrode Material: Theoretical Calculation and Experimental Estimation with LiCoVO4 as an Example. Processes, 2023, 11 (5), 1427. doi: 10.3390/pr11051427 IF 3.352

 
PUB20230421 21 апреля 2023 г. 
A topological approach to reconstructive solid-state transformations and its application for generation of new carbon allotropes.

A. A. Kabanov, E. O. Bukhteeva and V. A. Blatov A topological approach to reconstructive solid-state transformations and its application for generation of new carbon allotropes. Acta Crystallographica Section B, 2023, 79 (3), 198–206. doi: 10.1107/S205252062300255X IF 4.933

 
20230427-01 12 апреля 2023 г. 
Local Atomic Configurations in Intermetallic Crystals: Beyond the First Coordination Shell.

Olga A. Blatova, Vladislav T. Osipov, Valeria E. Pavlova, Maria A. Solodovnikova, Ilya I. Trofimychev, Ekaterina M. Egorova, and Vladislav A. Blatov Local Atomic Configurations in Intermetallic Crystals: Beyond the First Coordination Shell. Inorganic Chemistry, 2023, 62 (16), 6214–6223. doi: 10.1021/acs.inorgchem.2c03607 IF 5.436

 
PUB20230224 24 февраля 2023 г. 
Boron Substructures in Inorganic Borides: Network Topology and Free Space.

Inna V. Medrish and Vladislav A. Blatov Boron Substructures in Inorganic Borides: Network Topology and Free Space. Crystal Growth & Design, 2023, 23 (4), 2531–2539. doi: 10.1021/acs.cgd.2c01440 IF 4.010

 
20230209-02 8 февраля 2023 г. 
Pore topology analysis in porous molecular systems.

Verity Anipa, Andrew Tarzia, Kim E. Jelfs, Eugeny V. Alexandrov and Matthew A. Addicoat Pore topology analysis in porous molecular systems. Royal Society Open Science, 2023, 10 (2), 220813. doi: 10.1098/rsos.220813 IF 3.853

 
PUB20230117 17 января 2023 г. 
Elucidation of molecular crystals with one-, two- or three-dimensional geometrical models.

Vladislav A. Blatov Elucidation of molecular crystals with one-, two- or three-dimensional geometrical models. Acta Crystallographica Section B, 2023, 79 (1), 1–2. doi: 10.1107/S2052520623000203 IF 4.933

 
PUB20230113 13 января 2023 г. 
Prospective oxygen-ion conductors LnaXbOz: Geometry and energy calculations.

Natalya A. Kabanova, Yelizaveta A. Morkhova, Alexander V. Antonyuk, Eugeny I. Frolov Prospective oxygen-ion conductors LnaXbOz: Geometry and energy calculations. Solid State Ionics, 2023, 391, 116142. doi: 10.1016/j.ssi.2022.116142 IF 3.699

 
152 page minimum spine. Editor: Matt Hotze, JEM: Esther
RTP:  Diane Murphy 28 декабря 2022 г. 
Magnocolumbites Mg1–xMxNb2O6−δ (x = 0, 0.1, and 0.2; M = Li and Cu) as New Oxygen Ion Conductors: Theoretical Assessment and Experiment.

Yelizaveta A. Morkhova, Mariia S. Koroleva, Anastasia V. Egorova, Andrey A. Pimenov, Aleksei G. Krasnov, Boris A. Makeev, Vladislav A. Blatov, and Artem A. Kabanov Magnocolumbites Mg1–xMxNb2O6−δ (x = 0, 0.1, and 0.2; M = Li and Cu) as New Oxygen Ion Conductors: Theoretical Assessment and Experiment. The Journal of Physical Chemistry C, 2023, 127 (1), 52–58. doi: 10.1021/acs.jpcc.2c06631 IF 4.177

 
PUB20231209 9 декабря 2022 г. 
Nishanbaevite, KAl2O(AsO4)(SO4), a new As/S-ordered arsenate-sulfate mineral of fumarolic origin.

I. V. Pekov, N. V. Zubkova, V. O. Yapaskurt, D. I. Belakovskiy, S. N. Britvin, A. A. Agakhanov, A. G. Turchkova, E. G. Sidorov, A. V. Kutyrev, V. A. Blatov & D. Y. Pushcharovsky Nishanbaevite, KAl2O(AsO4)(SO4), a new As/S-ordered arsenate-sulfate mineral of fumarolic origin. Mineralogy and Petrology, 2023, 117 (2), 247–257. doi: 10.1007/s00710-022-00803-0 IF 2.172

 
PUB20221104 4 ноября 2022 г. 
Understanding Your Support System: The Design of a Stable Metal–Organic Framework/Polyazoamine Support for Biomass Conversion.

Vikram V. Karve, Nadezhda A. Nekrasova, Mehrdad Asgari, Olga Trukhina, Ilia V. Kochetygov, Hassan Abedini, Shuliang Yang, Eugeny V. Alexandrov, Jeremy S. Luterbacher, Wendy L. Queen Understanding Your Support System: The Design of a Stable Metal–Organic Framework/Polyazoamine Support for Biomass Conversion. Chemistry of Materials, 2022, 34 (22), 9854–9864. doi: 10.1021/acs.chemmater.2c01731 IF 10.508

 
20221004-01 1 октября 2022 г. 
Janus structures of SMoSe and SVSe compositions with low enthalpy and unusual crystal chemistry.

P. Gavryushkin, N. Sagatov, E. Sukhanova, I. Medrish and Z. Popov Janus structures of SMoSe and SVSe compositions with low enthalpy and unusual crystal chemistry. Journal of Applied Crystallography, 2022, 55 (5), 1324–1335. doi: 10.1107/S1600576722008202 IF 4.475

 
PUB20220929 29 сентября 2022 г. 
Three Zn(II) luminescent coordination polymers as sensors for the sensing of levofloxacin and benzaldehyde.

Xiang-Wen Wang, Yu-Qiao Su, Vladislav A. Blatov, Guang-Hua Cui Three Zn(II) luminescent coordination polymers as sensors for the sensing of levofloxacin and benzaldehyde. Journal of Molecular Structure, 2023, 1272, 134239. doi: 10.1016/j.molstruc.2022.134239 IF 3.841

 
PUB20220725 25 июля 2022 г. 
Adsorption Properties and Gas Chromatographic Application of a Composite Surface-layer Sorbent with Terephthalic Acid-Based Metal-Organic Framework.

Lyudmila A. Onuchak, Kirill A. Kopytin, Yuliya G. Kuraeva, Mikhail Yu. Pariichuk, Yuliya V. Martina, Nikolai A. Vinogradov, Eugeny V. Alexandrov Adsorption Properties and Gas Chromatographic Application of a Composite Surface-layer Sorbent with Terephthalic Acid-Based Metal-Organic Framework. Journal of Chromatography A, 2022, 1679, 463373. doi: 10.1016/j.chroma.2022.463373 IF 4.601

 
PUB20220704 4 июля 2022 г. 
Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration.

Delia Blasi, Silvio Quici, Simonetta Orlandi, Pierluigi Mercandelli, Andrey V. Sokolov, Eugeny V. Alexandrov, Lucia Carlucci Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration. CrystEngComm, 2022, 24 (30), 5474–5486. doi: 10.1039/d2ce00884j IF 3.756

 
PUB20220623 24 июня 2022 г. 
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 3.585

 
PUB20220623 23 июня 2022 г. 
Chiral Motifs in Highly Interpenetrated Metal-Organic Frameworks Formed from Achiral Tetrahedral Ligands.

Qiang Wen, Maria Chiara di Gregorio, Linda Shimon, Iddo Pinkas, Naveen Malik, Anna Kossoy, Eugeny Alexandrov, Davide M. Proserpio, Michal Lahav, Milko Erik van der Boom Chiral Motifs in Highly Interpenetrated Metal-Organic Frameworks Formed from Achiral Tetrahedral Ligands. Chemistry – A European Journal, 2022, 28 (54), e202201108. doi: 10.1002/chem.202201108 IF 5.020

 
PUB20220616 16 июня 2022 г. 
Metal-organic frameworks in Russia: from the synthesis and structure to functional properties and materials.

M. A. Agafonov, E. V. Alexandrov, N. A. Artyukhova, G. E. Bekmukhamedov, V. A. Blatov, ... D. G. Yakhvarov Metal-organic frameworks in Russia: from the synthesis and structure to functional properties and materials. Journal of Structural Chemistry, 2022, 63 (5), 671–843. doi: 10.1134/S0022476622050018 IF 1.071

 
PUB20220610 10 июня 2022 г. 
Generating triply periodic surfaces from crystal structures: the tiling approach and its application to zeolites.

M. I. Smolkov, O. A. Blatova, A. F. Krutov and V. A. Blatov Generating triply periodic surfaces from crystal structures: the tiling approach and its application to zeolites. Acta Crystallographica Section A, 2022, 78 (4), 327–336. doi: 10.1107/S2053273322004545 IF 2.290

 
PUB20220607 7 июня 2022 г. 
Hybrid DFT/Data-Driven Approach for Searching for New Quasicrystal Approximants in Sc-X (X = Rh, Pd, Ir, Pt) Systems.

Roman A. Eremin, Innokentiy S. Humonen, Pavel N. Zolotarev, Inna V. Medrish, Leonid E. Zhukov, and Semen A. Budennyy Hybrid DFT/Data-Driven Approach for Searching for New Quasicrystal Approximants in Sc-X (X = Rh, Pd, Ir, Pt) Systems. Crystal Growth & Design, 2022, 22 (7), 4570–4581. doi: 10.1021/acs.cgd.2c00463 IF 4.076

 
PUB20220602 2 июня 2022 г. 
Mechanism of Conductivity in the Rare Earth Layered Ln2MoO6 (Ln = La, Pr, and Nd) Oxymolybdates: Theoretical and Experimental Investigations.

Ekaterina I. Orlova, Yelizaveta A. Morkhova, Anastasia V. Egorova, Elena P. Kharitonova, Nikolay V. Lyskov, Valentina I. Voronkova, Artem A. Kabanov, Alexey A. Veligzhanin, and Natalia A. Kabanova Mechanism of Conductivity in the Rare Earth Layered Ln2MoO6 (Ln = La, Pr, and Nd) Oxymolybdates: Theoretical and Experimental Investigations. The Journal of Physical Chemistry C, 2022, 126 (23), 9623–9633. doi: 10.1021/acs.jpcc.2c01837 IF 4.126

 
PUB20220506 6 мая 2022 г. 
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

 
20220702-01 1 апреля 2022 г. 
Metal-organic frameworks as the basis for new-generation functional materials.

Gorbunova Yu. G., Fedin V. P. and Blatov V. A. Metal-organic frameworks as the basis for new-generation functional materials. Russian Chemical Reviews, 2022, 91(4), 5050. doi: 10.1070/RCR5050 IF 6.926

 
20220511-02 1 апреля 2022 г. 
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

 
PUB20220321 21 марта 2022 г. 
Topological transformations in metal–organic frameworks: a prospective design route?.

Eugeny V. Alexandrov, Yumin Yang, Lili Liang, Junjie Wang and Vladislav A. Blatov Topological transformations in metal–organic frameworks: a prospective design route? CrystEngComm, 2022, 24 (16), 2914–2924. doi: 10.1039/D2CE00264G IF 3.545

 
PUB20220314 14 марта 2022 г. 
Structural Features and the Li-Ion Diffusion Mechanism in Tantalum-Doped Li7La3Zr2O12 Solid Electrolytes.

Evgeniya Ilina, Efim Lyalin, Maxim Vlasov, Artem Kabanov, Kirill Okhotnikov, Elena Sherstobitova, and Mirijam Zobel Structural Features and the Li-Ion Diffusion Mechanism in Tantalum-Doped Li7La3Zr2O12 Solid Electrolytes. ACS Applied Energy Materials, 2022, 5 (3), 2959–2967. https://doi.org/10.1021/acsaem.1c03632 IF 6.024

 
PUB20220304 4 марта 2022 г. 
Design and Synthesis of Coordination Polymers with Cu(II) and Heterocyclic N-Oxides.

Andrey V. Sokolov, Anna V. V. Vologzhanina, Tatyana V. Sudakova, Yulia V. Popova and Eugeny V. Alexandrov Design and Synthesis of Coordination Polymers with Cu(II) and Heterocyclic N-Oxides. CrystEngComm, 2022, 24 (13), 2505–2515. doi: 10.1039/D2CE00139J IF 3.545

 
PUB20220215 15 февраля 2022 г. 
Effect of transition metal cations on the local structure and lithium transport in disordered rock-salt oxides.

D. Semykina, Y. A. Morkhova, A. A. Kabanov, K. Mishchenko, A. Slobodyuk, M. Kirsanova, O. A. Podgornova, A. Shindrov, K. Okhotnikov and N. V. Kosova Effect of transition metal cations on the local structure and lithium transport in disordered rock-salt oxides. Physical Chemistry Chemical Physics, 2022, 24 (10), 5823–5832. doi: 10.1039/D1CP04993C IF 3.676

 
X00222860 10 февраля 2022 г. 
Analysis of the dependence of dimethylmalonate complexes structure on the nature of heterometals by the example of Co(II) и Cd(II) compounds with K and Ba atoms.

Natalia V. Gogoleva, Ekaterina N. Zorina-Tikhonova, Polina Y. Khapaeva, Maxim A. Shmelev, Mikhail A. Kiskin, Eugeny V. Alexandrov, Alexey A. Sidorov, Igor L. Eremenko Analysis of the dependence of dimethylmalonate complexes structure on the nature of heterometals by the example of Co(II) и Cd(II) compounds with K and Ba atoms. Journal of Molecular Structure, 2022, 1256. doi: 10.1016/j.molstruc.2022.132532 IF 3.196

 
PUB20220201 1 февраля 2022 г. 
The role of local heteropolyhedral substitutions in the stoichiometry, topological characteristics and ion-migration paths in the eudialyte-related structures: a quantitative analysis.

S. M. Aksenov, N. A. Kabanova, N. V. Chukanov, T. L. Panikorovskii, V. A. Blatov and S. V. Krivovichev The role of local heteropolyhedral substitutions in the stoichiometry, topological characteristics and ion-migration paths in the eudialyte-related structures: a quantitative analysis. Acta Crystallographica Section B, 2022, 78 (1), 80–90. doi: 10.1107/S2052520621010015 IF 4.711

 
PUB20220125_2 25 января 2022 г. 
Computational design of materials for metal-ion batteries.

Artem A. Kabanov, Yelizaveta A. Morkhova, Iliya A. Bezuglov, Vladislav A. Blatov Computational design of materials for metal-ion batteries. In Comprehensive Inorganic Chemistry III. Elsevier, 2023, 404–429. doi: 10.1016/B978-0-12-823144-9.00062-5

 
PUB20220125 25 января 2022 г. 
Morphotropism in fumarolic mineral-related anhydrous sulfates: novel representatives in A+2M2+(SO4)2 and A+2M2+2(SO4)3 series.

O. I. Siidra, D. Nekrasova, O. Blatova, M. Colmont, O. Mentré and D. Charkin Morphotropism in fumarolic mineral-related anhydrous sulfates: novel representatives in A+2M2+(SO4)2 and A+2M2+2(SO4)3 series. Acta Crystallographica Section B, 2022, 78 (2), 153–161. doi.: 10.1107/S2052520622000919 IF 4.711

 
PUB20220119 19 января 2022 г. 
Discovery of Electrides in Electron-Rich Non-Electride Materials via Energy Modification of Interstitial Electrons.

Kun Li, Vladislav A. Blatov, Junjie Wang Discovery of Electrides in Electron-Rich Non-Electride Materials via Energy Modification of Interstitial Electrons. Advanced Functional Materials, 2022, 32 (17), 2112198. doi: 10.1002/adfm.202112198 IF 18.808

 
PUB20211229 29 декабря 2021 г. 
Polymorphism and topological features of compounds with the general formula A+1-xB2+x{M2+xM3+1-x [BP2O8(OH)]} (where x = 0, 1): Synthesis and structure refinement of Rb{V[BP2O8(OH)]}, analysis of the ion-migration paths, and comparative crystal chemistry of vanadium borophosphates.

Sergey M. Aksenov, Julia S. Mironova, Natalia A. Yamnova, Anatoly S. Volkov, Olga V. Dimitrova, Olga A. Gurbanova, Dina V. Deyneko, Vladislav A. Blatov, Sergey V. Krivovichev Polymorphism and topological features of compounds with the general formula A+1-xB2+x{M2+xM3+1-x [BP2O8(OH)]} (where x = 0, 1): Synthesis and structure refinement of Rb{V[BP2O8(OH)]}, analysis of the ion-migration paths, and comparative crystal chemistry of vanadium borophosphates. Journal of Solid State Chemistry, 2021. doi: 10.1016/j.jssc.2021.122831 IF 3.498

 
PUB20211207 7 декабря 2021 г. 
Metallization-Prompted Robust Porphyrin-Based Hydrogen-Bonded Organic Frameworks for Photocatalytic CO2 Reduction.

Qi Yin,Eugeny V. Alexandrov, Duan-Hui Si, Qian-Qian Huang, Zhi-Bin Fang, Yuan Zhang, An-An Zhang, Wei-Kang Qin, Yu-Lin Li, Tian-Fu Liu, Davide M. Proserpio Metallization-Prompted Robust Porphyrin-Based Hydrogen-Bonded Organic Frameworks for Photocatalytic CO2 Reduction. Angewandte Chemie, 2022, 61 (6), e202115854. doi:10.1002/anie.202115854 IF 15.336

 
PUB20211202 2 декабря 2021 г. 
The nyerereite crystal structure: a possible messenger from the deep Earth.

Azzurra Zucchin, Pavel N. Gavryushkin, Alexander V. Golovin, Nadezhda B. Bolotina, Paola Stabile, Michael Robert Carroll, Paola Comodi, Francesco Frondini, Daniele Morgavi, Diego Perugini, Fabio Arzilli, Marco Cherin, Emmanuel Kazimoto, Konstantin Kokh, Artem Kuznetsov, and Inna V. Medrish The nyerereite crystal structure: a possible messenger from the deep Earth. American Mineralogist, 2021, 2022, 107 (11), 2054–2064. doi: 10.2138/am-2022-8106 IF 3.003

 
PUB20211117 17 ноября 2021 г. 
Two robust Zn(II)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4 anions.

Yu-Qiao Su, Ruo-Tong Wang, Olga A. Blatova, Yong-Sheng Shi and Guang-Hua Cui Two robust Zn(II)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4 anions. CrystEngComm, 2022, 24 (1), 182–191. doi: 10.1039/D1CE01447A IF 3.545

 
PUB20211030 30 октября 2021 г. 
Oxygen ionic transport in LaInO3 and LaIn0.5Zn0.5O2.75 perovskites: Theory and experiment.

A. V. Egorova, Ye. A. Morkhova, A. A. Kabanov, K. G. Belova, I. E. Animitsa, V. A. Blatov, A. A. Pimenov, D. V. Korona Oxygen ionic transport in LaInO3 and LaIn0.5Zn0.5O2.75 perovskites: Theory and experiment. Solid State Ionics, 2021, 115790. doi: 10.1016/j.ssi.2021.115790 IF 3.785

 
20211110-01 27 октября 2021 г. 
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

 
PUB20211021 21 октября 2021 г. 
Design of MOFs with Absolute Structures: A Case Study.

Haoze Wang, Xiaokun Pei, Davide M. Proserpio, Omar M. Yaghi Design of MOFs with Absolute Structures: A Case Study. Israel Journal of Chemistry, 61 (11-12), 774–781. doi: 10.1002/ijch.202100102 IF 3.333

 
PUB20210806 6 августа 2021 г. 
Computational Search for Novel Zn-Ion Conductors – A Crystallochemical, Bond Valence, and Density Functional Study.

Yelizaveta A. Morkhova, Manuel Rothenberger, Tilmann Leisegang, Stefan Adams, Vladislav A. Blatov, and Artem A. Kabanov Computational Search for Novel Zn-Ion Conductors – A Crystallochemical, Bond Valence, and Density Functional Study. The Journal of Physical Chemistry C, 2021, 125 (32), 17590–17599. doi: 10.1021/acs.jpcc.1c02984 IF 4.126

 
2021072601 20 июля 2021 г. 
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

 
PUB20210715 15 июля 2021 г. 
Designing All Graphdiyne Materials as Graphene Derivatives: Topologically Driven Modulation of Electronic Properties.

Patrick Serafini, Alberto Milani, Davide M. Proserpio, and Carlo S. Casari Designing All Graphdiyne Materials as Graphene Derivatives: Topologically Driven Modulation of Electronic Properties. The Journal of Physical Chemistry C, 2021, 125 (33), 18456–18466. doi: 10.1021/acs.jpcc.1c04238 IF 4.126

 
PUB20210712 12 июля 2021 г. 
Relationships between Changes in Guest Ion Properties and in the Host Framework Topology in Ionic Coordination Polymers.

Pavel N. Zolotarev Relationships between Changes in Guest Ion Properties and in the Host Framework Topology in Ionic Coordination Polymers. Crystal Growth & Design, 2021, 21 (9), 4959–4970. doi: 10.1021/acs.cgd.1c00405 IF 4.076

 
20210710-01 22 июня 2021 г. 
The Different Story of π Bonds.

Marco Cappelletti, Mirko Leccese, Matteo Cococcioni, Davide M. Proserpio and Rocco Martinazzo The Different Story of π Bonds. Molecules, 2021, 26 (13), 3805. doi: 10.3390/molecules26133805 IF 3.589

 
PUB20210517 17 мая 2021 г. 
B5N3 and B7N5 Monolayers with High Carrier Mobility and Excellent Optical Performance.

Jingcheng Qi, Shiyao Wang, Junjie Wang, Naoto Umezawa, Vladislav A. Blatov, and Hideo Hosono B5N3 and B7N5 Monolayers with High Carrier Mobility and Excellent Optical Performance. The Journal of Physical Chemistry Letters, 2021, 12 (20), 4823–4832. doi: 10.1021/acs.jpclett.1c00913 IF 6.71

 
PUB20210419 19 апреля 2021 г. 
Coordination Properties of Hydroxyisophthalic Acids: Topological Correlations, Synthesis, Structural Analysis, and Properties of New Complexes.

Andrey V. Sokolov, Anna V. Vologzhanina, Ekaterina D. Barabanova, Sergey Yu. Stefanovich, Pavel V. Dorovatovskii, Ilya V. Taydakov, Eugeny V. Alexandrov Coordination Properties of Hydroxyisophthalic Acids: Topological Correlations, Synthesis, Structural Analysis, and Properties of New Complexes. Chemistry - A European Journal, 2021, 27 (35), 9180. doi: 10.1002/chem.202100733 IF 4.857

 
20210501-01 15 апреля 2021 г. 
Crystal and electronic structure engineering of tin monoxide by external pressure.

Kun Li, Junjie Wang, Vladislav A. Blatov, Yutong Gong, Naoto Umezawa, Tomofumi Tada, Hideo Hosono & Artem R. Oganov Crystal and electronic structure engineering of tin monoxide by external pressure. Journal of Advanced Ceramics, 2021, 10 (3), 565–577. doi: 10.1007/s40145-021-0458-1 IF 2.889

 
20210507-01 20 марта 2021 г. 
Discovery of intrinsic two-dimensional antiferromagnets from transition-metal borides.

Shiyao Wang, Nanxi Miao, Kehe Su, Vladislav A. Blatov and Junjie Wang Discovery of intrinsic two-dimensional antiferromagnets from transition-metal borides. Nanoscale, 2021, 13 (17), 8254–8263. doi: 10.1039/D1NR01103K IF 6.895

 
PUB20210307 7 марта 2021 г. 
High-Throughput Electron Diffraction Reveals a Hidden Novel Metal–Organic Framework for Electrocatalysis.

Meng Ge, Yanzhi Wang, Francesco Carraro, Weibin Liang, Morteza Roostaeinia, Samira Siahrostami, Davide M. Proserpio, Christian Doonan, Paolo Falcaro, Haoquan Zheng, Xiaodong Zou, Zhehao Huang High-Throughput Electron Diffraction Reveals a Hidden Novel Metal–Organic Framework for Electrocatalysis. Angewandte Chemie International Edition, 60 (20), 11391–11397. doi: 10.1002/anie.202016882 IF 12.959

 
PUB20210226 26 февраля 2021 г. 
Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3..

Sergey M. Aksenov, Natalia A. Yamnova, Natalia A. Kabanova, Anatoly S. Volkov, Olga A. Gurbanova, Dina V. Deyneko, Olga V. Dimitrova and Sergey V. Krivovichev Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3. Crystals, 2021, 11(3), 237. doi: 10.3390/cryst11030237 IF 2.404

 
20210202-03 27 января 2021 г. 
High-throughput systematic topological generation of low-energy carbon allotropes.

Vladislav A. Blatov, Changhao Yang, Dingyi Tang, Qingfeng Zeng, Andrey A. Golov & Artem A. Kabanov High-throughput systematic topological generation of low-energy carbon allotropes. npj Computational Materials, 2021, 7, 15. doi:10.1038/s41524-021-00491-y IF 11.282

 
PUB20210105 5 января 2021 г. 
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

 
20210423-01 21 декабря 2020 г. 
Facile synthesis and structure elucidation of metal-organic frameworks with {ZnCa} and {Zn2Ca} metal cores.

Irina K.Rubtsova, Stanislav N.Melnikov, Maxim A.Shmelev, Stanislav A.Nikolaevskii, Ilya A.Yakushev, Julia K.Voronina, Ekaterina D.Barabanova, Mikhail A.Kiskin, Alexey A.Sidorov, Igor L.Eremenko Facile synthesis and structure elucidation of metal-organic frameworks with {ZnCa} and {Zn2Ca} metal cores. Mendeleev Communications, 2020, 30 (6), 722–724. doi: 10.1016/j.mencom.2020.11.011 IF 1.694

 
PUB20201210 10 декабря 2020 г. 
Metastable structures of CaCO3 and their role in transformation of calcite to aragonite and postaragonite.

Pavel N. Gavryushkin, Anatoly B. Belonoshko, Nursultan Sagatov, Dinara Sagatova, Elena Zhitova, Maria G. Krzhizhanovskaya, Aleksander Rečnik, Eugeny V. Alexandrov, Inna V. Medrish, Zakhar I. Popov, and Konstantin D. Litasov Metastable structures of CaCO3 and their role in transformation of calcite to aragonite and postaragonite. Crystal Growth and Design, 2021, 21, 1, 65–74. doi: 10.1021/acs.cgd.0c00589 IF 4.089

 
20210107-05 1 декабря 2020 г. 
Phase Relations of Iron Carbides Fe2C, Fe3C, and Fe7C3 at the Earth’s Core Pressures and Temperatures.

N.E. Sagatov, P.N. Gavryushkin, I.V. Medrish, T.M. Inerbaev, K.D. Litasov Phase Relations of Iron Carbides Fe2C, Fe3C, and Fe7C3 at the Earth’s Core Pressures and Temperatures. Russian Geology and Geophysics, 2020, 61 (12), 1345–1353. doI: 10.15372/RGG2019146 IF 1.150

 
PUB20201118 18 ноября 2020 г. 
CrystalGrower: A Generic Computer Program for Monte Carlo Modelling of Crystal Growth.

Michael William Anderson, Adam R Hill, James T Gebbie, Pablo Cubillas, Mollie Trueman, Nathan de Bruyn, Zulaikha al Harthi, Rachel Pooley, Martin Attfield, Vladislav A. Blatov, Davide M Proserpio, Julian Gale, Duncan Akporiaye and Bjørnar Arstad CrystalGrower: A Generic Computer Program for Monte Carlo Modelling of Crystal Growth. Chemical Science, 2021, 12 (3), 1126–1146. doi: 10.1039/D0SC05017B IF 9.346

 
PUB20201109 9 ноября 2020 г. 
The Na2−nHn[Zr(Si2O7)]·mH2O Minerals and Related Compounds (n = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na+-Ion Migration Paths.

Natalya A. Kabanova, Taras L. Panikorovskii, Natalya S. Vlasenko, Victor N. Yakovenchuk, Sergey M. Aksenov, Vladimir N. Bocharov and Sergey V. Krivovichev The Na2−nHn[Zr(Si2O7)]·mH2O Minerals and Related Compounds (n = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na+-Ion Migration Paths. Crystals, 2020, 10 (11), 1016. doi:10.3390/cryst10111016 IF 2.404

 
PUB2020110201 2 ноября 2020 г. 
Polynuclear architectures with cadmium and lithium ions based on the {Li2Cd2(O2CCMe3)6} fragment.

N.V.Gogoleva, G.N.Kuznetsova, M.A.Shmelev, K.A.Lyssenko, D.B.Kayumova, I.P.Malkerova, A.S.Alikhanyan, A.A.Starikova, E.D.Barabanova, M.A.Kiskin, A.A.Sidorov, I.L.Eremenko Polynuclear architectures with cadmium and lithium ions based on the {Li2Cd2(O2CCMe3)6} fragment. Journal of Solid State Chemistry, 2020, 294, 121842. doi: 10.1016/j.jssc.2020.121842 IF 2.726

 
20210107-01 29 октября 2020 г. 
Size-Selective Urea-Containing Metal–Organic Frameworks as Receptors for Anions.

Leili Esrafili, Ali Morsali, Mao-Lin Hu, Alireza Azhdari Tehrani, Lucia Carlucci, Pierluigi Mercandelli, and Davide M. Proserpio Size-Selective Urea-Containing Metal–Organic Frameworks as Receptors for Anions. Inorganic Chemistry, 2020, 59 (22), 16421–16429. doi: 10.1021/acs.inorgchem.0c02215 IF 4.825

 
PUB20201021 21 октября 2020 г. 
Sorption of multivalent cations on titanosilicate obtained from natural raw materials. The mechanism and thermodynamics of sorption.

Igor А. Perovskiy, Nataliya Y. Yanicheva, Valery V. Stalyugin, Taras L. Panikorovskii, Andrey A. Golov Sorption of multivalent cations on titanosilicate obtained from natural raw materials. The mechanism and thermodynamics of sorption. Microporous and Mesoporous Materials, 2021, 311, 110716. doi: 10.1016/j.micromeso.2020.110716 IF 4.551

 
PUB20200929 17 сентября 2020 г. 
On the Influence of Solvent Properties on the Structural Characteristics of Molecular Crystal Polymorphs.

Pavel N. Zolotarev and Nadezhda A. Nekrasova On the Influence of Solvent Properties on the Structural Characteristics of Molecular Crystal Polymorphs. Crystal Growth & Design, 2020, 20 (11), 7152–7162. doi: 10.1021/acs.cgd.0c00753 IF 4.089

 
PUB20200906 6 сентября 2020 г. 
Supramolecular architectures of Mn(NCS)2 complexes with N‘-(1-(pyridin-4-yl)ethylidene)picolinohydrazide and N‘-(phenyl(pyridin-4-yl)methylene)isonicotinohydrazide.

Ghodrat Mahmoudi, Maciej Kubicki, Duane Choquesillo-Lazarte, Barbara Miroslaw, Eugeny V. Alexandrov, Pavel N. Zolotarev, Antonio Frontera, Damir A. Safin Supramolecular architectures of Mn(NCS)2 complexes with N'-(1-(pyridin-4-yl)ethylidene)picolinohydrazide and N'-(phenyl(pyridin-4-yl)methylene)isonicotinohydrazide. Polyhedron, 2020, 190, 114776. doi: 10.1016/j.poly.2020.114776 IF 2.343

 
PUB2020090601 6 сентября 2020 г. 
From Simple to Complex: Design of Inorganic Crystal Structures with a Topologically Extended Zintl–Klemm Concept.

Inna V. Medrish, Roman A. Eremin, and Vladislav A. Blatov From Simple to Complex: Design of Inorganic Crystal Structures with a Topologically Extended Zintl–Klemm Concept. Journal of Physical Chemistry Letters, 2020, 11 (19), 8114–8120. doi:10.1021/acs.jpclett.0c02468 IF 6.71

 
PUB20200818 18 августа 2020 г. 
Theoretical and experimental study of reversible intercalation of Li ions in the Jarosite NaFe3(SO4)2(OH)6 structure.

Nina V. Kosova, Alexander A. Shindrov, Artem A. Kabanov Theoretical and experimental study of reversible intercalation of Li ions in the Jarosite NaFe3(SO4)2(OH)6 structure. Electrochimica Acta, 2020, 359, 136950. doi:10.1016/j.electacta.2020.136950 IF 6.215

 
20200826-01 21 июля 2020 г. 
Combined DFT and geometrical–topological analysis of Li-ion conductivity in complex hydrides.

Valerio Gulino, Anna Wolczyk, Andrey A. Golov, Roman A. Eremin, Mauro Palumbo, Carlo Nervi, Vladislav A. Blatov, Davide M. Proserpio and Marcello Baricco Combined DFT and geometrical–topological analysis of Li-ion conductivity in complex hydrides. Inorganic Chemistry Frontiers, 2020, 7 (17), 3115–3125. doi: 10.1039/D0QI00577K IF 5.934

 
PUB2020071601 16 июля 2020 г. 
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

 
20200826-02 26 июня 2020 г. 
Pyroelectrically-driven chemical reactions described by a novel thermodynamic cycle.

Mateo U. de Vivanco, Matthias Zschornak, Hartmut Stöcker, Sven Jachalke, Erik Mehner, Tilmann Leisegang and Dirk C. Meyer Pyroelectrically-driven chemical reactions described by a novel thermodynamic cycle. Physical Chemistry Chemical Physics, 2020, 22 (32), 17781–17790. doi: 10.1039/D0CP01288B IF 3.567

 
PUB2020080601 25 июня 2020 г. 
Crystal structure and migration paths of alkaline ions in NaVPO4F.

D. Semykina, I. Yakovlev, O. B. Lapina, A. A. Kabanov and N. V. Kosova Crystal structure and migration paths of alkaline ions in NaVPO4F. Physical Chemistry Chemical Physics, 2020, 22 (28), 15876–15884. doi: 10.1039/D0CP02204G IF 3.567

 
PUB20200612 12 июня 2020 г. 
Exploring the performance of pristine and defective silicene and silicene-like XSi3 (X= Al, B, C, N, P) sheets as supercapacitor electrodes: A density functional theory calculation of quantum capacitance.

Mohammad Jafar Momeni, Morteza Mousavi-Khoshdel, Tilmann Leisegang Exploring the performance of pristine and defective silicene and silicene-like XSi3 (X= Al, B, C, N, P) sheets as supercapacitor electrodes: A density functional theory calculation of quantum capacitance. Physica E: Low-dimensional Systems and Nanostructures, 2020, 124, 114290. doi: 10.1016/j.physe.2020.114290 IF 3.176

 
20210127-02 4 июня 2020 г. 
Hierarchically Structured Allotropes of Phosphorus from Data‐Driven Exploration.

Volker L. Deringer, Chris J. Pickard, and Davide M. Proserpio Hierarchically Structured Allotropes of Phosphorus from Data‐Driven Exploration. Angewandte Chemie International Edition, 2020, 59 (37), 15880–15885. doi: 10.1002/anie.202005031 IF 12.959

 
20200622-01 15 мая 2020 г. 
Structure variations within RSi2 and R2Si3 silicides. Part II. Structure driving factors.

M. Nentwich, M. Zschornak, M. Sonntag, R. Gumeniuk, S. Gemming, T. Leisegang and D. C. Meyer Structure variations within RSi2 and R2Si3 silicides. Part II. Structure driving factors . Acta Crystallographica Section B, 2020, 76 (3), 378–410. doi: 10.1107/S2052520620003893 IF 6.732

 
20200622-02 8 мая 2020 г. 
Nanoporous materials with predicted zeolite topologies.

Vladislav A. Blatov, Olga A. Blatova, Frits Daeyaert and Michael W. Deem Nanoporous materials with predicted zeolite topologies. RSC Advances, 2020, 10, 17760–17767. doi: 10.1039/D0RA01888K IF 3.168

 
20200504-01 1 мая 2020 г. 
Isotopy classes for 3-periodic net embeddings.

S. C. Power, I. A. Baburin and D. M. Proserpio Isotopy classes for 3-periodic net embeddings. Acta Crystallographica Section A, 2020, 76 (3), 275–301. doi: 10.1107/S2053273320000625 IF 4.647

 
20210107-03 28 апреля 2020 г. 
A New Group of Edge-transitive 3-Periodic Nets and Their Derived Nets for Reticular Chemistry.

Mian Li, Michael O’Keeffe, Davide M. Proserpio, and Hai-Feng Zhang A New Group of Edge-transitive 3-Periodic Nets and Their Derived Nets for Reticular Chemistry. Crystal Growth & Design, 2020, 20 (6), 4062–4068. doi: 10.1021/acs.cgd.0c00275 IF 4.089

 
20200617-04 23 апреля 2020 г. 
Solid-State 1D → 3D Transformation of Polynitrile-Based Coordination Polymers by Dehydration Reaction.

Artem O. Dmitrienko, Michail I. Buzin, Zouaoui Setifi, Fatima Setifi, Eugeny V. Alexandrov, Eugenia D. Voronova and Anna V. V. Vologzhanina Solid-State 1D → 3D Transformation of Polynitrile-Based Coordination Polymers by Dehydration Reaction. Dalton Transactions, 2020, 49 (21), 7084–7092. doi: 10.1039/D0DT00917B IF 4.052

 
untitled 18 апреля 2020 г. 
Phase Diagrams of Iron Hydrides at Pressures of 100–400 GPa and Temperatures of 0–5000 K.

D.N. Sagatova, P.N. Gavryushkin, N.E. Sagatov, I. V. Medrish, K.D. Litasov Phase Diagrams of Iron Hydrides at Pressures of 100–400 GPa and Temperatures of 0–5000 K. JETP Letters, 2020, 111, 145–150. doi: 10.1134/S0021364020030108 IF 1.412

 
20200617-02 14 апреля 2020 г. 
X-ray diffraction using focused-ion-beam-prepared single crystals.

Tina Weigel, Claudia Funke, Matthias Zschornak, Thomas Behm, Hartmut Stöcker, Tilmann Leisegang and Dirk C. Meyer X-ray diffraction using focused-ion-beam-prepared single crystals. Journal of Applied Crystallography, 2020, 2020, 53 (3), 614–622. doi: 10.1107/S1600576720003143 IF 3.527

 
PUB20200402 2 апреля 2020 г. 
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. CrystEngComm, 2020, 22 (43), 7298–7307. doi: 10.1039/D0CE00265H IF 3.382

 
20200421-01 26 марта 2020 г. 
Record Complexity in the Polycatenation of Three Porous Hydrogen-Bonded Organic Frameworks with Stepwise Adsorption Behaviors.

Yu-Lin Li, Eugeny V. Alexandrov, Qi Yin, Lan Li, Zhi-Bin Fang, Wenbing Yuan, Davide M. Proserpio, Tian-Fu Liu Record Complexity in the Polycatenation of Three Porous Hydrogen-Bonded Organic Frameworks with Stepwise Adsorption Behaviors. Journal of the American Chemical Society, 2020, 142 (15), 7218–7224. doi: 10.1021/jacs.0c02406 IF 14.695

 
20200214-02 16 января 2020 г. 
A Porous Covalent Organic Framework with Voided Square Grid Topology for Atmospheric Water Harvesting.

Ha L. Nguyen, Nikita Hanikel, Steven J. Lyle, Chenhui Zhu, Davide M. Proserpio, Omar M. Yaghi A Porous Covalent Organic Framework with Voided Square Grid Topology for Atmospheric Water Harvesting. Journal of the American Chemical Society, 2020, 142 (5), 2218–2221. doi: 10.1021/jacs.9b13094 IF 14.695

 
20200214-01 15 января 2020 г. 
A new quasicrystal approximant in the Sc–Pd system: from topological data mining to the bench.

Pavlo Solokha, Roman A. Eremin, Tilmann Leisegang, Davide M. Proserpio, Tatiana Akhmetshina, Albina Gurskaya, Adriana Saccone, Serena De Negri A new quasicrystal approximant in the Sc–Pd system: from topological data mining to the bench. Chemistry of Materials, 2020, 32 (3), 1064–1079. doi: 10.1021/acs.chemmater.9b03767 IF 10.159

 
20200117-01 19 декабря 2019 г. 
Perceiving Zeolite Self-Assembly: a Combined Top-Down and Bottom-Up Approach within the Tiling Model.

Andrey A. Golov, Olga A. Blatova, Vladislav A. Blatov Perceiving Zeolite Self-Assembly: a Combined Top-Down and Bottom-Up Approach within the Tiling Model. The Journal of Physical Chemistry C, 2020, 124, 2, 1523-1528. doi: 10.1021/acs.jpcc.9b10514 IF 4.309

 
20200111-01 3 декабря 2019 г. 
A Breathing Metal-Organic Framework Based on Flexible Inorganic Building Units.

Erik Svensson, Grape Hongyi Xu,Ocean Cheung, Marion Calmels, Jingjing Zhao, Catherine Dejoie, Davide M. Proserpio, Xiaodong Zou, A. Ken Inge A Breathing Metal-Organic Framework Based on Flexible Inorganic Building Units. Crystal Growth & Design, 2020, 20 (1), 320-329. doi: 10.1021/acs.cgd.9b01266 IF 3.972

 
20200202-02 18 ноября 2019 г. 
Ionic Transport in Doped Solid Electrolytes by Means of DFT Modeling and ML Approaches: A Case Study of Ti-Doped KFeO2.

Roman A. Eremin, Pavel N. Zolotarev, Andrey A. Golov, Nadezhda A. Nekrasova, Tilmann Leisegang Ionic Transport in Doped Solid Electrolytes by Means of DFT Modeling and ML Approaches: A Case Study of Ti-Doped KFeO2. The Journal of Physical Chemistry C, 2019. doi: 10.1021/acs.jpcc.9b07535 IF 4.484

 
20200202-01 6 ноября 2019 г. 
Anion-directed assembly of three cationic silver(I) coordination polymers with bis(imidazolyl)-based linker: Structural characterization and anion exchange study.

Sara Azizzadeh, Valiollah Nobakht, Lucia Carlucci, Davide M. Proserpio Anion-directed assembly of three cationic silver(I) coordination polymers with bis(imidazolyl)-based linker: Structural characterization and anion exchange study. Polyhedron, 2019, 175, 114236. doi: 10.1016/j.poly.2019.114236 IF 2.067

 
A1_11224_Cover page 1.indd 17 октября 2019 г. 
From clusters to crystals: scale chemistry of intermetallics.

Vladimir Ya. Shevchenko, Inna V. Medrish, Gregory D. Ilyushin, Vladislav A. Blatov From clusters to crystals: scale chemistry of intermetallics. Structural Chemistry, 2019, 30 (6), 2015–2027. doi: 10.1007/s11224-019-01427-5 IF 1.624

 
20191107-01 7 октября 2019 г. 
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

 
20191015-01 23 сентября 2019 г. 
Anisotropy of Elastic Properties of Metal–Organic Frameworks and the Breathing Phenomenon.

Eugeny V. Alexandrov, Andrey V. Goltsev, Roman A. Eremin, Vladislav A. Blatov Anisotropy of Elastic Properties of Metal–Organic Frameworks and the Breathing Phenomenon. The Journal of Physical Chemistry C, 2019, 123, 40, 24651-24658. doi: 10.1021/acs.jpcc.9b08434 IF 4.484

 
20191001-03 23 сентября 2019 г. 
Modeling of Ionic Conductivity in Inorganic Compounds with Multivalent Cations.

E. A. Morkhova, A. A. Kabanov, V. A. Blatov Modeling of Ionic Conductivity in Inorganic Compounds with Multivalent Cations. Russian Journal of Electrochemistry, 2019, 55 (8), 762–777. doi: 10.1134/S102319351908010X IF 1.043

 
20191007-03 9 сентября 2019 г. 
Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds.

Shalisa M. Oburn, Michael A. Sinnwell, Devin P. Ericson, Eric W. Reinheimer, Davide M. Proserpio, Ryan H. Groeneman and Leonard MacGillivray Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds. IUCrJ, 2019, 6. doi: 10.1107/S2052252519011382 IF 5.434

 
20190925-01 3 сентября 2019 г. 
Predicting superhard materials via a machine learning informed evolutionary structure search.

Patrick Avery, Xiaoyu Wang, Corey Oses, Eric Gossett, Davide M. Proserpio, Cormac Toher, Stefano Curtarolo and Eva Zurek Predicting superhard materials via a machine learning informed evolutionary structure search. Computational Materials (Nature Partner Journals), 2019, 5, 89. doi: 10.1038/s41524-019-0226-8 IF 9.651

 
20191007-01 4 августа 2019 г. 
Diverse π–π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal–organic frameworks.

Lilia Xie, Eugeny V. Alexandrov, Grigorii Skorupskii, Davide M Proserpio and Mircea Dinca Diverse π–π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal–organic frameworks. Chemical Science, 2019, 10 (37), 8558-8565. doi:10.1039/C9SC03348C IF 9.556

 
20190925-02 25 июля 2019 г. 
Two Novel Self-Catenated Metal-Organic Frameworks with Large Accessible Channels Obtained by Mixed-Ligand Strategy: Adsorption of Dichromate and Ln3+-Post Synthetic Modification.

Yingying Sun, Ruidan Ma, Fengyuan Wang, Xianmin Guo, Shaowen Sun, Huadong Guo, Eugeny V. Alexandrov Two Novel Self-Catenated Metal-Organic Frameworks with Large Accessible Channels Obtained by Mixed-Ligand Strategy: Adsorption of Dichromate and Ln3+-Post Synthetic Modification. Crystal Growth & Design, 2019, 19 (9),5267–5274. doi: 10.1021/acs.cgd.9b00657 IF 3.972

 
20191007-02 22 июля 2019 г. 
Assembly of two novel self-catenated metal-organic frameworks from a tripodal N, O-donor ligand: syntheses, structures and properties.

Ruidan Ma, Xianmin Guo, Yingying Sun, Fengyuan Wang, Shaowen Sun, Ting Zhou, Shuang Liu, Huadong Guo, Eugeny V. Alexandrov Assembly of two novel self-catenated metal-organic frameworks from a tripodal N, O-donor ligand: syntheses, structures and properties. Inorganica Chimica Acta, 2019, 496, 119032. doi: 10.1016/j.ica.2019.119032 IF 2.264

 
20190724-01 27 июня 2019 г. 
Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.

Xuanfeng Jiang, Xunzhe Cui, Andrew J. E. Duncan, Liang Li, Russell P. Hughes, Richard J. Staples, Eugeny V. Alexandrov, Davide M. Proserpio, Yuyang Wu, Chenfeng Ke Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion. Journal of the American Chemical Society, 2019, 141 (27),10915–10923. doi: 10.1021/jacs.9b05232 IF 14.695

 
20190702-06 3 июня 2019 г. 
A New sp2-sp3-Hybridized Metallic Carbon Network for Lithium-ion Battery Anode with Enhanced Safety and Lithium-ion Diffusion Rate.

Dong Fan, Andrey A. Golov, Artem A. Kabanov, Chengke Chen, Shaohua Lu, Xiao Li, Meiyan Jiang, Xiaojun Hu A New sp2-sp3-Hybridized Metallic Carbon Network for Lithium-ion Battery Anode with Enhanced Safety and Lithium-ion Diffusion Rate. The Journal of Physical Chemistry C, 2019, 123 (25),15412–15418. doi: 10.1021/acs.jpcc.9b02034 IF 4.484

 
20190722-03 23 мая 2019 г. 
Empirical Electronic Polarizabilities: Deviations from the Additivity Rule. II. Structures Exhibiting Ion Conductivity.

Robert D. Shannon, Natalia A. Kabanova, Reinhard X. Fischer Empirical Electronic Polarizabilities: Deviations from the Additivity Rule. II. Structures Exhibiting Ion Conductivity. Crystal Research & Technology, 2019, 54 (7), 1900037. doi: 10.1002/crat.201900037 IF 1.122

 
20190513-01 1 мая 2019 г. 
The Aluminum-Ion Battery: A Sustainable and Seminal Concept?.

Tilmann Leisegang, Falk Meutzner, Matthias Zschornak, Wolfram Münchgesang, Robert Schmid, Tina Nestler, Roman A. Eremin, Artem A. Kabanov, Vladislav A. Blatov and Dirk C. Meyer The Aluminum-Ion Battery: A Sustainable and Seminal Concept? Frontier in Chemistry, 2019. doi: 10.3389/fchem.2019.00268 IF 4.155

 
20190702-09 23 апреля 2019 г. 
Sulphur‐ and selenium‐containing compounds potentially exhibiting Al‐ion conductivity.

F. Meutzner, M. Zschornak, A. Kabanov, T. Nestler, T. Leisegang, V. A. Blatov, D. C. Meyer Sulphur‐ and selenium‐containing compounds potentially exhibiting Al‐ion conductivity. Chemistry – A European Journal, 2019, 25 (36), 8623–8629. doi: 10.1002/chem.201901438 IF 5.160

 
20171123-01 12 апреля 2019 г. 
Network topological model of reconstructive solid-state transformations.

Vladislav A. Blatov, Andrey A. Golov, Changhao Yang, Qingfeng Zeng & Artem A. Kabanov Network topological model of reconstructive solid-state transformations. Scientific Reports, 2019, 9. doi:10.1038/s41598-019-42483-5 IF 4.122

 
20190520-01 12 апреля 2019 г. 
Sonochemical synthesis and characterization of four nanostructural nickel coordination polymers and photocatalytic degradation of methylene blue.

Lin-Lu Qian, Vladislav A. Blatov, Zhi-Xiang Wang, Jian-Gang Ding, Li-Ming Zhu, Ke Li, Bao-Long Li, Bing Wu Sonochemical synthesis and characterization of four nanostructural nickel coordination polymers and photocatalytic degradation of methylene blue. Ultrasonics Sonochemistry, 2019, 56, 213-228. doi: 10.1016/j.ultsonch.2019.04.015 IF 6.12

 
20190506-01 2 апреля 2019 г. 
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), pp 2604–2614. doi: 10.1021/acs.cgd.8b01721 IF 3.972

 
27 марта 2019 г. 
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

 
20171123-04 22 марта 2019 г. 
Variation of Topologies and Entanglements in Metal-Organic Frameworks with mixed tris[4-(1H-imidazol-1-yl)phenyl]phosphine oxide and dicarboxylate ligands.

Yingying Sun, Xiaojie Chen, Fengyuan Wang, Ruidan Ma, Xianmin Guo, Shaowen Sun, Huadong Guo and Eugeny V. Alexandrov Variation of Topologies and Entanglements in Metal-Organic Frameworks with mixed tris[4-(1H-imidazol-1-yl)phenyl]phosphine oxide and dicarboxylate ligands. Dalton Transactions, 2019, 48 (16), 5450–5458. doi:10.1039/C9DT00249A IF 4.099

 
20171123-03 15 марта 2019 г. 
Ab initio modeling of oxygen ion migration in non-stoichiometric bismuth titanate pyrochlore Bi1.5Ti2O6.25.

A.G. Krasnov, A.A. Kabanov, N.A. Kabanova, I.V. Piir, I.R. Shein Ab initio modeling of oxygen ion migration in non-stoichiometric bismuth titanate pyrochlore Bi1.5Ti2O6.25. Solid State Ionics, 2019, 335, 135-141. doi: 10.1016/j.ssi.2019.02.023 IF 2.751

 
Created with Equilibrium MediaRich 15 февраля 2019 г. 
Unique self-catenated 3D Cd(II)-MOF with a rare (3,3,9)-connected underlying network exhibiting high photocatalytic activities.

Wen-Chao Kang, Dong Liu, Vladislav A.Blatov, Guang-HuaCui Unique self-catenated 3D Cd(II)-MOF with a rare (3,3,9)-connected underlying network exhibiting high photocatalytic activities. Inorganic Chemistry Communications, 2019, 102, 126-129. doi: 10.1016/j.inoche.2019.02.017 IF 1.81

 
no spine minimum. half size. Editor: Tara  JEM: Esther
RTP: Cathy Fisher 20 января 2019 г. 
A combined theoretical approach for identifying battery materials: Al3+ mobility in oxides.

T. Nestler, F. Meutzner, A.A. Kabanov, M. Zschornak, T. Leisegang, and D.C. Meyer A combined theoretical approach for identifying battery materials: Al3+ mobility in oxides. Chemistry of Materials, 2019, 31 (3), 737–747. doi: 10.1021/acs.chemmater.8b03631 IF 9.890

 
20191104-01 22 декабря 2018 г. 
Natural tilings and free space in zeolites: models, statistics, correlations, prediction.

Olga A. Blatova, Andrey A. Golov, Vladislav A. Blatov Natural tilings and free space in zeolites: models, statistics, correlations, prediction. Zeitschrift für Kristallographie - Crystalline Materials, 2019, 234 (7-8), 421–436. doi:10.1515/zkri-2018-2143 IF 2.159

 
20181217-03 20 октября 2018 г. 
High-throughput search for potential potassium ion conductors: A combination of geometrical-topological and density functional theory approaches.

R.A.Eremin, N.A.Kabanova, Ye.A.Morkhova, A.A.Golov, V.A.Blatov High-throughput search for potential potassium ion conductors: A combination of geometrical-topological and density functional theory approaches. Solid State Ionics, 2018, 326, 188-199. doi: 10.1016/j.ssi.2018.10.009 IF 2.751

 
Created with Equilibrium MediaRich 17 октября 2018 г. 
Topology-based crystal structure generator.

Pavel V.Bushlanov, Vladislav A.Blatov, Artem R.Oganov Topology-based crystal structure generator. Computer Physics Communications, 2019, 236, 1-7. doi: 10.1016/j.cpc.2018.09.016 IF 3.748

 
GC_020_023.indd 17 октября 2018 г. 
Water-Stable Fluorinated Metal−Organic Frameworks (F-MOFs) with Hydrophobic Properties as Efficient and Highly Active Heterogeneous Catalysts in Aqueous Solution.

M. Joharian, A. Azhdari Tehrani, A. Morsali, L. Carlucci, D. M. Proserpio Water-Stable Fluorinated Metal−Organic Frameworks (F-MOFs) with Hydrophobic Properties as Efficient and Highly Active Heterogeneous Catalysts in Aqueous Solution. Green Chemistry, 2018, 20, 5336-5345. doi: 10.1039/C8GC02367K IF 8.586

 
20190307-03 15 октября 2018 г. 
Tailor‐Made Microporous Metal–Organic Frameworks for the Full Separation of Propane from Propylene Through Selective Size Exclusion.

Hao Wang, Xinglong Dong, Valentina Colombo, Qining Wang, Yanyao Liu, Wei Liu, Xin‐Long Wang, Xiao‐Ying Huang, Davide M. Proserpio, Angelo Sironi, Yu Han, Jing Li Tailor‐Made Microporous Metal–Organic Frameworks for the Full Separation of Propane from Propylene Through Selective Size Exclusion. Advanced Materials, 2018, 30 (49), e1805088. doi: 10.1002/adma.201805088 IF 21.950

 
130 minimum on spine. Editor: Mihaela Rogers, JEM: Diane
RTP: Maureen Murdock 9 октября 2018 г. 
Three Cationic Non-Porous CuI-Coordination Polymers: Structural Investigation and Vapor Iodine Capture.

Elham Baladi, Valiollah Nobakht, Abbas Tarassoli, Davide M. Proserpio, and Lucia Carlucci Three Cationic Non-Porous CuI-Coordination Polymers: Structural Investigation and Vapor Iodine Capture. Crystal Growth & Design, 2018, 18 (11), 7207-7218. doi: 10.1021/acs.cgd.8b01446 IF 3.972

 
no spine minimum. half size. Editor: Tamara Hanna  JEM: Esther
RTP: Bryan Nolte 4 октября 2018 г. 
Toward Engineering Chiral Rodlike Metal–Organic Frameworks with Rare Topologies.

Thais Grancha, Jesús Ferrando-Soria, Davide M. Proserpio, Donatella Armentano, and Emilio Pardo Toward Engineering Chiral Rodlike Metal–Organic Frameworks with Rare Topologies. Inorganic Chemistry, 2018, 57 (20), 12869–12875. doi: 10.1021/acs.inorgchem.8b02082 IF 4.700

 
130 minimum on spine. Editor: Mihaela Rogers, JEM: Diane
RTP: Maureen Murdock 4 октября 2018 г. 
Autoluminescent Metal-Organic Frameworks: Self-Photoemission of a Highly Stable Thorium MOF.

Jacopo Andreo, Emanuele Priola, Gabriele Alberto, Paola Benzi, Domenica Marabello, Davide M. Proserpio, Carlo Lamberti, and Eliano Diana Autoluminescent Metal-Organic Frameworks: Self-Photoemission of a Highly Stable Thorium MOF. Journal of the American Chemical Society, 2018, 140 (43), 14144-14149. doI: 10.1021/jacs.8b07113 IF 14.357

 
20181113-04 21 сентября 2018 г. 
Ultrasound and solvothermal synthesis of a new urea-based metal-organic framework as a precursor for fabrication of cadmium(II) oxide nanostructures.

Leili Esrafili, Alireza Azhdari Tehrani, Ali Morsali, Lucia Carlucci, Davide M. Proserpio Ultrasound and solvothermal synthesis of a new urea-based metal-organic framework as a precursor for fabrication of cadmium(II) oxide nanostructures. Inorganica Chimica Acta, 2019, 484, 386-393. doi:10.1016/j.ica.2018.09.025 IF 2.264

 
20180911-08 28 августа 2018 г. 
Generating carbon schwarzites via zeolite-templating.

Efrem Braun, Yongjin Lee, Seyed Mohamad Moosavi, Senja Barthel, Rocio Mercado, Igor A. Baburin, Davide M. Proserpio, and Berend Smit Generating carbon schwarzites via zeolite-templating. Proceedings of the National Academy of Sciences, 2018, 115 (35), E8116-E8124. doi:10.1073/pnas.1805062115 IF 9.504

 
20181016-02 18 августа 2018 г. 
Construction of Cd(II) coordination polymers from a fluorene-based bisimidazole ligand and polycarboxylic acids: syntheses, structures and properties.

Sh. Sun, Y. Sun, H. Guo, X. Fu, M. Guo, S. Liu, X. Guo, L. Zhang, E. V. Alexandrov Construction of Cd(II) coordination polymers from a fluorene-based bisimidazole ligand and polycarboxylic acids: syntheses, structures and properties. Inorganica Chimica Acta, 2018, 483, 165–172. doi: 10.1016/j.ica.2018.08.018 IF 2.264

 
20180911-05 5 мая 2018 г. 
Lu5Pd4Ge8 and Lu3Pd4Ge4: Two More Germanides among Polar Intermetallics.

Riccardo Freccero, Pavlo Solokha, Davide Maria Proserpio, Adriana Saccone and Serena De Negri Lu5Pd4Ge8 and Lu3Pd4Ge4: Two More Germanides among Polar Intermetallics. Crystals, 2018, 8(5), 205. doi: 10.3390/cryst8050205 IF 2.144

 
20181113-05 12 апреля 2018 г. 
Data-driven learning and prediction of inorganic crystal structures.

Volker L. Deringer, Davide M. Proserpio, Gábor Csányi and Chris J. Pickard Data-driven learning and prediction of inorganic crystal structures. Faraday Discussions, 2018, 211, 45-59. doi:10.1039/C8FD00034D IF 3.427

 
no spine minimum. half size. Editor: Tara  JEM: Esther
RTP: Cathy Fisher 4 апреля 2018 г. 
Predicting new zeolites: a combination of thermodynamic and kinetic factors.

Ekaterina D. Kuznetsova, Olga A. Blatova and Vladislav A. Blatov Predicting new zeolites: a combination of thermodynamic and kinetic factors. Chemistry of Materials, 2018, 30 (8), 2829–2837. doi: 10.1021/acs.chemmater.8b00905 IF 9.890

 
20180305-01 5 марта 2018 г. 
Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion.

M. A. Harvey, S. Suarez, P. N. Zolotarev, D. M. Proserpio and R. Baggio Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion. Acta Crystallographica Section C, 2018, 74, 351-359. doi: 10.1107/S2053229618002413 IF 8.678

 
130 minimum on spine. Editor: Mihaela Rogers, JEM: Diane
RTP: Maureen Murdock 25 января 2018 г. 
Distinguishing metal-organic frameworks.

Senja Barthel, Eugeny V. Alexandrov, Davide M. Proserpio and Berend Smit Distinguishing metal-organic frameworks. Crystal Growth & Design, 2018, 18 (3), 1738–1747. doi: 10.1021/acs.cgd.7b01663 IF 3.972

 
20180116-01 29 декабря 2017 г. 
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