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26 February 2021  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 Tags: Q2, Samara State Technical University

 

27 January 2021  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 Tags: Q1, Samara Branch of LPI RAS, Samara State Technical University, Samara University

 

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. doi:10.1007/s11224-020-01724-4 IF 2.081 Tags: Q3, Samara Branch of LPI RAS, Samara State Technical University

 

10 December 2020  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 Tags: Q1, Samara Branch of LPI RAS, Samara State Technical University

 

1 December 2020  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 Tags: Q2, Samara State Technical University, Samara University

 

18 November 2020  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 Tags: Q1, Samara State Technical University, Samara University

 

9 November 2020  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 Tags: Q2, Samara State Technical University

 

2 November 2020  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 Tags: Q2, Samara State Technical University

 

29 October 2020  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 Tags: Q1, Samara State Technical University

 

21 October 2020  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 Tags: Q1, Samara State Technical University, Samara University

 

17 September 2020  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, 20 (11), 7152–7162. doi: 10.1021/acs.cgd.0c00753 IF 4.089 Tags: Q1, Samara State Technical University

 

6 September 2020  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 Tags: Q2, Samara Branch of LPI RAS, Samara State Technical University

 

6 September 2020  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 Tags: Q1, Samara State Technical University

 

18 August 2020  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 Tags: Q1, Samara Branch of LPI RAS, Samara State Technical University

 

21 July 2020  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 Tags: Q1, Samara State Technical University, Samara University

 

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 Tags: Q1, Samara Branch of LPI RAS, Samara State Technical University, Samara University

 

26 June 2020  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 Tags: Q1, Samara State Technical University

 

25 June 2020  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 Tags: Q1, Samara Branch of LPI RAS, Samara State Technical University

 

20 June 2020  Two d10 metal coordination polymers as dual functional luminescent probes for sensing of Fe3+ ions and acetylacetone with high selectivity and sensitivity. Miao-Miao Fu, Yun-Hua Qu, Vladislav A. Blatov, Yue-Hua Li, Guang-Hua Cui Two d10 metal coordination polymers as dual functional luminescent probes for sensing of Fe3+ ions and acetylacetone with high selectivity and sensitivity. Journal of Solid State Chemistry, 2020, 289, 121460. doi: 10.1016/j.jssc.2020.121460 IF 2.291 Tags: Q2, Samara University

 

12 June 2020  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 Tags: Q2, Samara State Technical University

 

4 June 2020  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 Tags: Q1, Samara State Technical University

 

15 May 2020  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 Tags: Q1, Samara State Technical University

 

8 May 2020  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 Tags: Q1, Samara State Technical University, Samara University

 

1 May 2020  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 Tags: Q1, Samara State Technical University

 

28 April 2020  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 Tags: Q1, Samara State Technical University

 

23 April 2020  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

 

22 April 2020  Monolayer self‐organization of cyclodextrins on carbon surface. Egor S. Bykov, Kirill A. Kopytin, Lyudmila A. Onuchak, Vladislav A. Blatov Monolayer self‐organization of cyclodextrins on carbon surface. Journal of the Chinese Chemical Society, 2020, 67 (10), 1778-1782. doi: 10.1002/jccs.201900544 IF 1.188 Tags: Northwestern Polytechnical University, Q3, Samara University

 

18 April 2020  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 Tags: Q2, Samara State Technical University, Samara University

 

14 April 2020  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 Tags: Q1, Samara State Technical University

 

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 Tags: Q1, Samara Branch of LPI RAS, Samara State Technical University, Samara University

 

1 April 2020  Structure variations within RSi2 and R2TSi3 silicides. Part I. Structure overview. M. Nentwich, M. Zschornak, M. Sonntag, R. Gumeniuk, S. Gemming, T. Leisegang and D. C. Meyer Structure variations within RSi2 and R2TSi3 silicides. Part I. Structure overview. Acta Crystallographica Section B, 2020, 76 (2), 177–200. doi: 10.1107/S2052520620001043 IF 6.732 Tags: Q1, Samara University

 

26 March 2020  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 Tags: Q1, Samara Branch of LPI RAS, Samara State Technical University

 

16 January 2020  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 Tags: Q1, Samara State Technical University

 

15 January 2020  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 Tags: Q1, Samara State Technical University, Samara University

 

9 January 2020  Crystal structure of NaFeO2 and NaAlO2 and their correlation with ionic conductivity. Proskurnina N.V., Voronin V.I., Shekhtman G.S., Kabanova N. A. Crystal structure of NaFeO2 and NaAlO2 and their correlation with ionic conductivity. Ionics, 2020, 26 (6), 2917–2926. doi:10.1007/s11581-019-03387-6 IF 2.289 Tags: Q1, Samara University

 

19 December 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

10 December 2019  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 Tags: Q1, Samara State Technical University

 

18 November 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

6 November 2019  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 Tags: Q2, Samara State Technical University

 

17 October 2019  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 Tags: Q2, Samara State Technical University, Samara University

 

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 Tags: Q1, Samara State Technical University, Samara University

 

23 September 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

23 September 2019  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 Tags: Q3, Samara State Technical University, Samara University

 

9 September 2019  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 Tags: Q1, Samara State Technical University

 

3 September 2019  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 Tags: Q1, Samara State Technical University

 

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 Tags: Northwestern Polytechnical University, Samara University

 

4 August 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

25 July 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

22 July 2019  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 Tags: Q2, Samara State Technical University, Samara University

 

27 June 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

19 June 2019  Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis­[(1,2,4-triazol-4-yl)meth­yl]benzene and benzene-1,3,5-tri­carboxyl­ate ligands. Y.-Q. Zhang, V. A. Blatov, X.-X. Lv, D.-Y. Tang, L.-L. Qian, K. Li and B.-L. Li Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis­[(1,2,4-triazol-4-yl)meth­yl]benzene and benzene-1,3,5-tri­carboxyl­ate ligands. Acta Crystallographica Section C, 2019, 75, 960-968. doi:10.1107/S205322961900826X IF 4.36 Tags: Q1, Samara University

 

3 June 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

23 May 2019  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 Tags: Q2, Samara State Technical University

 

1 May 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

23 April 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

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 Tags: Q1, Samara University

 

12 April 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

12 April 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

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 Tags: Q1, Samara State Technical University, Samara University

 

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 Tags: Samara State Technical University, Samara University

 

22 March 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

15 March 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

15 February 2019  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 Tags: Q3, Samara State Technical University

 

20 January 2019  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 Tags: Q1, Samara State Technical University, Samara University

 

22 December 2018  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 Tags: Q2, Samara State Technical University, Samara University

 

20 October 2018  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 Tags: Q1, Samara State Technical University, Samara University

 

17 October 2018  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 Tags: Northwestern Polytechnical University, Q1, Samara State Technical University

 

17 October 2018  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 Tags: Q1, Samara State Technical University

 

15 October 2018  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 Tags: Q1, Samara State Technical University

 

12 October 2018  Assembly of Polynuclear Single‐molecule Magnets. Kieran Griffiths, Vladislav A. Blatov, George E. Kostakis Assembly of Polynuclear Single‐molecule Magnets. In Single‐Molecule Magnets, M. Hołyńska (Ed.). doi:10.1002/9783527809929.ch8 Tags: Samara University

 

9 October 2018  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 Tags: Q1, Samara State Technical University

 

4 October 2018  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 Tags: Q1, Samara State Technical University

 

4 October 2018  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 Tags: Q1, Samara State Technical University

 

2 October 2018  Computational analysis and identification of battery materials. F. Meutzner, T. Nestler, M. Zschornak, P. Canepa, G. S. Gautam, S. Leoni, S. Adams, T. Leisegang, V. A. Blatov, D. C. Meyer Computational analysis and identification of battery materials. Physical Sciences Reviews, 2019, 4 (1), 20180044. doi:10.1515/psr-2018-0044 IF 1.414 Tags: Samara University

 

21 September 2018  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 Tags: Q2, Samara State Technical University

 

20 September 2018  D-carbon: Ab initio study of a novel carbon allotrope. Dong Fan, Shaohua Lu, Andrey A. Golov, Artem A. Kabanov and Xiaojun Hu D-carbon: Ab initio study of a novel carbon allotrope. The Journal of Chemical Physics, 2018, 149, 114702. doi: 10.1063/1.5037380 IF 2.843 Tags: Q1, Samara University

 

28 August 2018  Construction of five zinc coordination polymers with 4-substituted bis(trizole) and multicarboxylate ligands: Syntheses, structures and properties. Ya-Qian Zhang, Vladislav A. Blatov, Xiu-Xiu Lv, Chang-Hao Yang, Lin-Lu Qian, Ke Li, Bao-Long Li, Bing Wu Construction of five zinc coordination polymers with 4-substituted bis(trizole) and multicarboxylate ligands: Syntheses, structures and properties. Polyhedron, 2018, 155, 223-231. doi: 10.1016/j.poly.2018.08.047 IF 2.067 Tags: Northwestern Polytechnical University, Q2, Samara University

 

28 August 2018  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 Tags: Q1, Samara State Technical University

 

18 August 2018  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 Tags: Q2, Samara State Technical University, Samara University

 

11 August 2018  Electrodes: definitions and systematisation – a crystallographers view. Falk Meutzner, Matthias Zschornak, Melanie Nentwich, Damien Monti, Tilmann Leisegang Electrodes: definitions and systematisation – a crystallographers view. Physical Sciences Reviews, 2018, 3, 10. doi:10.1515/psr-2018-0043 IF 1.414 Tags: Samara University

 

7 May 2018  Deconstruction of Crystalline Networks into Underlying Nets: Relevance for Terminology Guidelines and Crystallographic Databases. Charlotte Bonneau, Michael O'Keeffe, Davide M. Proserpio, Vladislav A. Blatov, Stuart R. Batten, Susan A. Bourne, Myoung Soo Lah, Jean-Guillaume Eon, Stephen T Hyde, Seth B. Wiggin, and Lars Ohrstrom Deconstruction of Crystalline Networks into Underlying Nets: Relevance for Terminology Guidelines and Crystallographic Databases. Crystal Growth & Design, 2018, 18 (6), 3411–3418. doi: 10.1021/acs.cgd.8b00126 IF 3.972 Tags: Q1, Samara University

 

5 May 2018  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 Tags: Q2, Samara State Technical University

 

1 May 2018  Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers. Hao Wang, Xinglong Dong, Junzhong Lin, Simon J. Teat , Stephanie Jensen, Jeremy Cure, Eugeny V. Alexandrov, Qibin Xia, Kui Tan, Qining Wang, David H. Olson, Davide M. Proserpio , Yves J. Chabal, Timo Thonhauser, Junliang Sun, Yu Han & Jing Li Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers. Nature Communications, 2018, 9, 1745. doi: 10.1038/s41467-018-04152-5 IF 12.353 Tags: Q1, Samara University

 

12 April 2018  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 Tags: Q1, Samara State Technical University

 

7 April 2018  An unusual (4,6)-coordinated copper(II) coordination polymer: High efficient degradation of organic dyes under visible light irradiation and electrochemical properties. Tian-Rui Zheng, Vladislav A. Blatov, Lin-Lu Qian, Ding-Yi Tang, Ya-Qian Zhang, Zhi-Xiang Wang, Bao-Long Li, Bin Wu An unusual (4,6)-coordinated copper(II) coordination polymer: High efficient degradation of organic dyes under visible light irradiation and electrochemical properties. Polyhedron, 2018, 148, 81-87. doi:10.1016/j.poly.2018.03.032 IF 2.067 Tags: Northwestern Polytechnical University, Q2, Samara University

 

4 April 2018  A luminescent zinc(II) coordination polymer with unusual (3,4,4)-coordinated self-catenated 3D network for selective detection of nitroaromatics and ferric and chromate ions: a versatile luminescent sensor. Ya-Qian Zhang, Vladislav A. Blatov, Tian-Rui Zheng, Chang-Hao Yang, Lin-Lu Qian, Ke Li, Bao-Long Li and Bing Wu A luminescent zinc(II) coordination polymer with unusual (3,4,4)-coordinated self-catenated 3D network for selective detection of nitroaromatics and ferric and chromate ions: a versatile luminescent sensor. Dalton Transactions, 2018, 47, 6189-6198. doi:10.1039/C7DT04682K IF 4.099 Tags: Northwestern Polytechnical University, Q1, Samara University

 

4 April 2018  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 Tags: Q1, Samara State Technical University, Samara University

 

14 March 2018  An unusual (3,10)-coordinated 3D network coordination polymer as a potential luminescent sensor for detection of nitroaromatics and ferric ion. Tian-Rui Zheng , Vladislav A. Blatov, Ya-Qian Zhang , Chang-Hao Yang , Lin-Lu Qian , Ke Li , Bao-Long Li, Bing Wu An unusual (3,10)-coordinated 3D network coordination polymer as a potential luminescent sensor for detection of nitroaromatics and ferric ion. Journal of Luminescence, 2018, 199, 126–132. doi: 10.1016/j.jlumin.2018.03.025 IF 2.732 Tags: Northwestern Polytechnical University, Q2, Samara University

 

5 March 2018  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 Tags: Q3, Samara State Technical University

 

20 February 2018  Vacuum-Mediated Single-Crystal-to-Single-Crystal (SCSC) Transformation in Na-MOFs: Rare to Novel Topology and Activation of Nitrogen in Triazole Moieties. Shagufi Naz Ansari, Sanjay K. Verma, Aleksandr A. Garin, and Shaikh M. Mobin Vacuum-Mediated Single-Crystal-to-Single-Crystal (SCSC) Transformation in Na-MOFs: Rare to Novel Topology and Activation of Nitrogen in Triazole Moieties.Crystal Growth & Design, 2018, 18 (3), 1287-1292. doi: 10.1021/acs.cgd.7b01753 IF 3.972 Tags: Q1, Samara University

 

12 February 2018  Coordination polymers from bent ligands or how to obtain rare topologies with simple linkers and nodes. Siyu Liu, Mingming Guo, Yingying Sun, Huadong Guo, Xianmin Guo, Eugeny Alexandrov Coordination polymers from bent ligands or how to obtain rare topologies with simple linkers and nodes. Inorganica Chimica Acta, 2018, 474, 73–80. doi: 10.1016/j.ica.2018.01.018 IF 2.264 Tags: Q2, Samara University

 

25 January 2018  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 Tags: Q1, Samara State Technical University, Samara University

 

23 January 2018  Structural diversity of six metal–organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes. Siyu Liu, Mingming Guo, Huadong Guo, Yingying Sun, Xianmin Guo, Shaowen Suna and Eugeny V. Alexandrov Structural diversity of six metal–organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes. RSC Advances, 2018, 8, 4039-4048. doi:10.1039/C7RA11754J IF 3.096 Tags: Q1, Samara University

 

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 Tags: Q1, Samara State Technical University, Samara University

 

30 November 2017  Li(Ni,Co,Al)O2 Cathode Delithiation: A Combination of Topological Analysis, Density Functional Theory, Neutron Diffraction and Machine Learning Techniques. Roman A. Eremin, Pavel N. Zolotarev, Olga Yu. Ivanshina, and Ivan A. Bobrikov Li(Ni,Co,Al)O2 Cathode Delithiation: A Combination of Topological Analysis, Density Functional Theory, Neutron Diffraction and Machine Learning Techniques, The Journal of Physical Chemistry C, 2017, 121 (51), 28293–28305. doi: 10.1021/acs.jpcc.7b09760 IF 4.484 Tags: Q1

 

16 November 2017  Crystallochemical tools in the search for cathode materials of rechargeable Na-ion batteries and analysis of their transport properties. Stanislav S. Fedotov, Natalya A. Kabanova, Artem A. Kabanov, Vladislav A. Blatov, Nellie R. Khasanova, Evgeny V. Antipov Crystallochemical tools in the search for cathode materials of rechargeable Na-ion batteries and analysis of their transport properties. Solid State Ionics, 2018, 314, 129–140. doi: 10.1016/j.ssi.2017.11.008 IF 2.354 Tags: Q1

 

17 October 2017  Packing topology in crystals of proteins and small molecules: a comparison. Oliviero Carugo, Olga A. Blatova, Elena O. Medrish, Vladislav A. Blatov & Davide M. Proserpio Packing topology in crystals of proteins and small molecules: a comparison. Scientific Reports, 2017, 7. doi:10.1038/s41598-017-12699-4 IF 4.525 Tags: Q1, ToposPro

 

21 September 2017  A Water-Stable Cl@Ag14 Cluster Based Metal−Organic Open Framework for Dichromate Trapping and Bacterial Inhibition. Shan-Shan Zhang, Xin Wang, Hai-Feng Su, Lei Feng, Zhi Wang, Wen-Qiang Ding, Vladislav A. Blatov, Mohamedally Kurmoo, Chen-Ho Tung, Di Sun, and Lan-Sun Zheng A Water-Stable Cl@Ag14 Cluster Based Metal−Organic Open Framework for Dichromate Trapping and Bacterial Inhibition. Inorganic Chemistry, 2017, 56 (19), 11891–11899. doi: 10.1021/acs.inorgchem.7b01879 IF 4.700 Tags: Q1

 

21 September 2017  A 3D Coordination Network Built from CuII4Cl3(H2O)2 Linear Clusters and Tetrapyridyl Tetrahedral Silane Ligands: Reversible Iodine Uptake and Friedel–Crafts Alkylation Reactions. Mahesh S. Deshmukh, Atul Chaudhary, Pavel N. Zolotarev, and Ramamoorthy Boomishankar A 3D Coordination Network Built from CuII4Cl3(H2O)2 Linear Clusters and Tetrapyridyl Tetrahedral Silane Ligands: Reversible Iodine Uptake and Friedel–Crafts Alkylation Reactions. Inorganic Chemistry, 2017, 56 (19), 11762–11767. doi: 10.1021/acs.inorgchem.7b01781 IF 4.700 Tags: Q1

 

18 September 2017  A new glance on the R2MGe6 (R = rare earth metal, M=another metal) compounds. An experimental and theoretical study of R2PdGe6 germanides. Riccardo Freccero, Pavlo Solokha, Davide M Proserpio, Adriana Saccone and Serena De Negri A new glance on the R2MGe6 (R = rare earth metal, M=another metal) compounds. An experimental and theoretical study of R2PdGe6 germanides. Dalton Transactions, 2017, 40, 14021-14033. doi:10.1039/C7DT02686B IF 4.099 Tags: Q1

 

11 September 2017  Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers. A. Tarassoli, V. Nobakht, E. Baladi, L. Carlucci and D. M. Proserpio Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers, CrystEngComm, 2017, 41 (19), 6116–6126. doi: 10.1039/C7CE01193H IF 3.382 Tags: Q1

 

11 September 2017  A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties. Ke Li, Vladislav A. Blatov, Tao Fan, Tian-Rui Zheng, Ya-Qian Zhang, Bao-Long Li and Bing Wu A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties, CrystEngComm, 2017, 38 (19), 5797-5808. doi: 10.1039/C7CE01176H IF 3.382 Tags: Q1

 

11 September 2017  Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling. Natalia Vladimirovna Proskurnina, Vladimir I. Voronin, Georgi Sh. Shekhtman, Larisa Nikolaevna Maskaeva, Natalia A. Kabanova, Artem A. Kabanov, and Vladislav A. Blatov Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling. The Journal of Physical Chemistry C, 2017, 121 (39), 21128–21135. doi: 10.1021/acs.jpcc.7b05164 IF 4.484 Tags: Q1

 

9 August 2017  Ab initio study of new sp3 silicon and germanium allotropes predicted from the zeolite topologies. Vladimir A. Saleev, Alexandra V. Shipilova, Davide M. Proserpio, and Giuseppe Fadda Ab initio study of new sp3 silicon and germanium allotropes predicted from the zeolite topologies, The European Physical Journal B, 2017, 90, 150. doi: 10.1140/epjb/e2017-80152-2 IF 1.465 Tags: Q2

 

27 June 2017  Bonding analyses of unconventional carbon allotropes. Marc Esser, Arina A. Esser, Davide M. Proserpio, Richard Dronskowski Bonding analyses of unconventional carbon allotropes. Carbon, 2017, 121, 154 – 162. doi:10.1016/j.carbon.2017.05.062 IF 7.466 Tags: Q1

 

19 May 2017  Two Exceptional Patterns of Helical Secondary Building Units Found in Metal–Organic Framework Structures. Eugeny V. Alexandrov, Andrey V. Goltsev, Michael O’Keeffe, and Davide M. Proserpio Two Exceptional Patterns of Helical Secondary Building Units Found in Metal–Organic Framework Structures. Crystal Growth & Design, 2017, 17 (6), 2941–2944. doi: 10.1021/acs.cgd.7b00430 IF 3.972 Tags: Q1

 

27 April 2017  Self-assembly of three cationic silver(I) coordination networks with flexible bis(pyrazolyl)-based linkers. Sara Azizzadeh, Valiollah Nobakht , Lucia Carlucci, Davide M. Proserpio Self-assembly of three cationic silver(I) coordination networks with flexible bis(pyrazolyl)-based linkers. Polyhedron, 2017, 130, 58 – 66. doi: 10.1016/j.poly.2017.03.048 IF 2.067 Tags: Q2

 

27 April 2017  Predicting crystal growth via a unified kinetic three-dimensional partition model. Michael W. Anderson, James T. Gebbie-Rayet, Adam R. Hill, Nani Farida, Martin P. Attfield,Pablo Cubillas, Vladislav A. Blatov, Davide M. Proserpio, Duncan Akporiaye, Bjørnar Arstad & Julian D. Gale Predicting crystal growth via a unified kinetic three-dimensional partition model. Nature, 2017, 544, 456–459. doi:10.1038/nature21684 IF 41.577 Tags: Q1, ToposPro

 

19 April 2017  Extracting Crystal Chemistry from Amorphous Carbon Structures. Volker L. Deringer, Gabor Csanyi, and Davide M. Proserpio Extracting Crystal Chemistry from Amorphous Carbon Structures. ChemPhysChem 2017, 18 (8), 873 – 877. doi: 10.1002/cphc.201700151 IF 3.075 Tags: Q1

 

7 April 2017  Quantitative structure–Chromatographic retention correlations of quinoline derivatives. Nadezhda A. Nekrasova, Svetlana V. Kurbatova Quantitative structure–Chromatographic retention correlations of quinoline derivatives. Journal of Chromatography A, 2017, 1492, 55–60. doi:10.1016/j.chroma.2017.02.063 IF 4.169 Tags: Q1

 

5 April 2017  Self-Catenated Coordination Polymers Involving Bis-pyridyl-bis-amide. Hsiu-Yi He, Chih-Hsun Hsu, Han-Yun Chang, Xiang-Kai Yang, Pradhumna Mahat Chhetri, Davide M. Proserpio, and Jhy-Der Chen Self-Catenated Coordination Polymers Involving Bis-pyridyl-bis-amide. Crystal Growth & Design, 2017, 17 (4), 1991–1998. doi: 10.1021/acs.cgd.7b00001 IF 3.972 Tags: Q1

 

15 March 2017  How 2-periodic coordination networks are interweaved: entanglement isomerism and polymorphism. Eugeny V. Alexandrov, Vladislav A. Blatov and Davide M. Proserpio How 2-periodic coordination networks are interweaved: entanglement isomerism and polymorphism. CrystEngComm, 2017, 19, 1993-2006. doi: 10.1039/C7CE00313G IF 3.382 Tags: Q1, ToposPro

 

11 March 2017  Topological methods for complex intermetallics. Akhmetshina T.G., Blatov V.A. Topological methods for complex intermetallics. Zeitschrift für Kristallographie, 2017, 232 (7-9), 497-506. doi: 10.1515/zkri-2016-2027 IF 2.159 Tags: Q2

 

19 February 2017  Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries. Stanislav S. Fedotov , Artem A. Kabanov, Natalia A. Kabanova, Vladislav A. Blatov , Andriy Zhugayevych , Artem M. Abakumov, Nellie R. Khasanova, and Evgeny V. Antipov Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries. The Journal of Physical Chemistry C, 2017, 121 (6), 3194–3202. doi: 10.1021/acs.jpcc.6b11027 IF 4.484 Tags: Q1, ToposPro

 

16 February 2017  Urea Metal–Organic Frameworks for Nitro-Substituted Compounds Sensing. Alireza Azhdari Tehrani, Leili Esrafili, Sedigheh Abedi, Ali Morsali, Lucia Carlucci, Davide M. Proserpio, Jun Wang, Peter C. Junk, and Tianfu Liu Urea Metal–Organic Frameworks for Nitro-Substituted Compounds Sensing. Inorganic Chemistry, 2017, 56 (3), 1446–1454. doi: 10.1021/acs.inorgchem.6b02518 IF 4.700 Tags: Q1

 

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 Tags: Q1, ToposPro

 

12 January 2017  A fascinating building unit: Mackay cluster in intermetallics. T. G. Akhmetshina T. G., Blatov V. A. A fascinating building unit: Mackay cluster in intermetallics. Structural Chemistry, 2017, 28 (1), 133–140 doi:10.1007/s11224-016-0828-4 IF 1.624 Tags: Q2, ToposPro

 

3 November 2016  Knowledge-Based Approaches to H-Bonding Patterns in Heterocycle-1-Carbohydrazoneamides. Anna V. Vologzhanina, Andrey V. Sokolov, Petr P. Purygin, Pavel N. Zolotarev and Vladislav A. Blatov Knowledge-Based Approaches to H-Bonding Patterns in Heterocycle-1-Carbohydrazoneamides. Crystal Growth & Design, 2016, 16 (11), 6354–6362. doi: 10.1021/acs.cgd.6b00990 IF 3.972 Tags: Q1, ToposPro

 

26 October 2016  Chemical design of heterometallic coordination polymers based on {Cu(Me2mal)2} fragment. Natalia Vyacheslavovna Gogoleva, Ekaterina N. Zorina-Tikhonova, Artem S. Bogomyakov, Nikolay N. Efimov, Eugeny V. Alexandrov, Elena A. Ugolkova, Mikhail A. Kiskin, Vadim V. Minin, Aleksey A. Sidorov, Vladimir M. Novotortsev, Igor L. Eremenko Chemical design of heterometallic coordination polymers based on {Cu(Me2mal)2} fragment. European Journal of Inorganic Chemistry, 2016, 2017 (3), 547–562. doi: 10.1002/ejic.201601047 IF 2.578 Tags: Q1

 

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 Tags: Q2, ToposPro

 

18 October 2016  Synthesis, Structures, and Properties of Cadmium(II) and Nickel(II) Coordination Polymers Based on a 4,4′-Biphenyl-Containing Ligand and Aliphatic Carboxylic Acids. Vladislav A. Blatov, Yan-Qin Zhao, Zeng-Chuan Hao, Guang-Hua Cui Synthesis, Structures, and Properties of Cadmium(II) and Nickel(II) Coordination Polymers Based on a 4,4′-Biphenyl-Containing Ligand and Aliphatic Carboxylic Acids. Zeitschrift für anorganische und allgemeine Chemie, 2016, 20, 1184–1190. doi: 10.1002/zaac.201600210 IF 1.179 Tags: Q3

 

17 October 2016  The R2Pd3Ge5 (R = La–Nd, Sm) germanides: synthesis, crystal structure and symmetry reduction. Pavlo Solokha, Riccardo Freccero, Serena De Negri, Davide M. Proserpio, Adriana Saccone The R2Pd3Ge5 (R = La–Nd, Sm) germanides: synthesis, crystal structure and symmetry reduction. Structural Chemistry, 2016, 27 (6), 1693–1701. doi:10.1007/s11224-016-0812-z IF 1.624 Tags: Q2

 

17 October 2016  Bergman, Bergman-based and 63-atom nanoclusters in intermetallics. Akhmetshina T. G., Blatov V. A. Bergman, Bergman-based and 63-atom nanoclusters in intermetallics. Structural Chemistry, 2016, 27 (6), 1685–1692. doi:10.1007/s11224-016-0804-z IF 1.624 Tags: Q2, ToposPro

 

17 October 2016  A method for topological analysis of rod packings. Blatov V. A. A method for topological analysis of rod packings. Structural Chemistry, 2016, 27(6), 1605–1611. doi:10.1007/s11224-016-0774-1 IF 1.624 Tags: Q2, ToposPro

 

17 October 2016  A family of entangled coordination polymers constructed from a flexible bisimidazole ligand and versatile polycarboxylic acids: Syntheses, structures and properties. Siyu Liu, Yongnian Yan, Mingming Guo, Huadong Guo, Xianmin Guo, Eugeny V. Alexandrov A family of entangled coordination polymers constructed from a flexible bisimidazole ligand and versatile polycarboxylic acids: Syntheses, structures and properties. Inorganica Chimica Acta, 2016, 453, 704–714. doi: 10.1016/j.ica.2016.09.044 IF 2.264 Tags: Q2

 

22 August 2016  Homo Citans and Carbon Allotropes: For an Ethics of Citation. Dr. Roald Hoffmann, Dr. Artyom A. Kabanov, Andrey A. Golov, and Prof. Davide M. Proserpio Homo Citans and Carbon Allotropes: For an Ethics of Citation. Angewandte Chemie International Edition, 2016, 55, 10962–10976. doi: 10.1002/anie.201600655 IF 12.257 Tags: Q1, ToposPro

 

9 February 2016  Searching New Crystalline Substrates for OMBE: Topological and Energetic Aspects of Cleavable Organic Crystals. Pavel N. Zolotarev, Massimo Moret, Silvia Rizzato, and Davide M. Proserpio Searching New Crystalline Substrates for OMBE: Topological and Energetic Aspects of Cleavable Organic Crystals. Crystal Growth & Design, 2016. doi: 10.1021/acs.cgd.5b01695 IF 3.972 Tags: Q1, ToposPro

 

7 January 2016  An Unprecedented Densely Self-Catenated Metal−Organic Framework Containing Inclined Catenated Honeycomb-like Units with the Highest Topological Density among 4-Coordinated Nets. Ju-Meng Hu, Vladislav A. Blatov, Baoyi Yu, Kristof Van Hecke and Guang Hua Cui An Unprecedented Densely Self-Catenated Metal−Organic Framework Containing Inclined Catenated Honeycomb-like Units with the Highest Topological Density among 4-Coordinated Nets. Dalton Transactions, 2016, 45, 2426–2429. doi: 10.1039/C5DT04679C IF 4.099 Tags: Q1

 

5 January 2016  Synthesis and description of intermolecular interactions in new sulfonamide derivatives of tranexamic acid. Muhammad Ashfaq, Muhammad Nadeem Arshad, Muhammad Danish, Abdullah M. Asiri, Sadia Khatoon, Ghulam Mustafa, Pavel N. Zolotarev, Rabia Ayub Butt, Onur Ṣahin Synthesis and Studies on Inter- and Intramolecular Interactions in New Sulfonamide Derivatives of Tranexamic Acid. Journal of Molecular Structure, 2016, 1103, 271-280. doi:10.1016/j.molstruc.2015.09.022 IF 2.011 Tags: Q3

 

9 November 2015  On the Way to New Possible Na-Ion Conductors: The Voronoi–Dirichlet Approach, Data Mining and Symmetry Considerations in Ternary Na Oxides. Falk Meutzner, Dr. Wolfram Münchgesang, Natalya A. Kabanova, Dr. Matthias Zschornak, Dr. Tilmann Leisegang, Prof. Vladislav A. Blatov, Prof. Dirk C. Meyer On the Way to New Possible Na-Ion Conductors: The Voronoi–Dirichlet Approach, Data Mining and Symmetry Considerations in Ternary Na Oxides. Chemistry — A European Journal, 2015, 21 (46), 16601–16608. doi:10.1002/chem.201501975 IF 5.160 Tags: Q1, ToposPro

 

27 October 2015  Topological Motifs in Cyanometallates: From Building Units to Three-Periodic Frameworks. Eugeny V. Alexandrov, Alexander V. Virovets, Vladislav A. Blatov, and Eugenia V. Peresypkina Topological Motifs in Cyanometallates: From Building Units to Three-Periodic Frameworks. Chemical Reviews, 2015, 115 (22), 12286–12319 doi: 10.1021/acs.chemrev.5b00320 IF 52.613 Tags: Q1, ToposPro

 

1 October 2015  Diorganotin (IV) complexes with 2-furancarboxylic acid hydrazone derivative of benzoylacetone: Synthesis, X-ray structure, antibacterial activity, DNA cleavage and molecular docking. Tahereh Sedaghat, Yahya Ebrahimi, Lucia Carlucci, Davide M. Proserpio, Valiollah Nobakht, Hossein Motamedi, Mohammad Reza Dayer. Diorganotin (IV) complexes with 2-furancarboxylic acid hydrazone derivative of benzoylacetone: Synthesis, X-ray structure, antibacterial activity, DNA cleavage and molecular docking. Journal of Organometallic Chemistry, 2015, 794 223-230. doi:10.1016/j.jorganchem.2015.06.034 IF 2.173 Tags: Q2

 

11 June 2015  A Collection of Topological Types of Nanoclusters and Its Application to Icosahedron-Based Intermetallics. Arina A. Pankova, Tatiana G. Akhmetshina, Vladislav A. Blatov, and Davide M. Proserpio. A Collection of Topological Types of Nanoclusters and Its Application to Icosahedron-Based Intermetallics. Inorganic Chemistry, 2015, 54 (13), 6616–6630. doi:10.1021/acs.inorgchem.5b00960 IF 4.700 Tags: Q1, ToposPro

 

1 April 2015  Modeling of Self-Organization Processes in Crystal-Forming Systems: Templated Precursor Nanoclusters T48 and the Self-Assembly of Crystal Structures of 15-Crown-5, Na-FAU, 18-Crown-6, Na-EMT, and Ca,Ba-TSC Zeolites. G. D. Ilyushin, Vladislav A Blatov. Modeling of Self-Organization Processes in Crystal-Forming Systems: Templated Precursor Nanoclusters T48 and the Self-Assembly of Crystal Structures of 15-Crown-5, Na-FAU, 18-Crown-6, Na-EMT, and Ca,Ba-TSC Zeolites. Russian Journal Of Inorganic Chemistry, 2015, 60(4), 529–543. doi: 10.1134/S0036023615040063 IF 0.709 Tags: Q3

 

19 March 2015  Three Silver(I) Coordination Polymers Constructed from Flexible Bis(benzimidazole) and Carboxylates Ligands. Xiao Xiao Wang, Yong Guang Liu, Kristof Van Hecke, Andrey Goltsev and Guang Hua Cui. Three Silver(I) Coordination Polymers Constructed from Flexible Bis(benzimidazole) and Carboxylates Ligands. Zeitschrift für anorganische und allgemeine Chemie, 2015, 641, (5), 903–910. doi: 10.1002/zaac.201400597 IF 1.179 Tags: Q3

 

13 February 2015  New knowledge and tools for crystal design: local coordination versus overall network topology and much more. EEugeny 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 Tags: Q1, ToposPro

 

10 February 2015  Vacancy Ordering as a Driving Factor for Structural Changes in Ternary Germanides: The New R2Zn1–xGe6 Series of Polar Intermetallics (R = Rare-Earth Metal). Pavlo Solokha, Serena De Negri, Davide M. Proserpio, Vladislav A. Blatov, and Adriana Saccone. Vacancy Ordering as a Driving Factor for Structural Changes in Ternary Germanides: The New R2Zn1–xGe6 Series of Polar Intermetallics (R = Rare-Earth Metal). Inorganic Chemistry, 2015, 54 (5), 2411–2424. doi: 10.1021/ic5030313 IF 4.700 Tags: Q1