PUB20210517 17 May 2021 
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

 
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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 doi: 10.1002/chem.202100733 IF 4.857

 
20210501-01 15 April 2021 
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 March 2021 
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

 
PUB20210226 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

 
20210202-03 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

 
PUB20210105 5 January 2021 
Simplify to understand: how to elucidate crystal structures?.

Alexander P. Shevchenko & Vladislav A. Blatov Simplify to understand: how to elucidate crystal structures? Structural Chemistry, 2021, 32 (2), 507–519. doi:10.1007/s11224-020-01724-4 IF 2.081

 
20210423-01 21 December 2020 
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 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

 
20210107-05 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

 
PUB20201118 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

 
PUB20201109 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

 
PUB2020110201 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

 
20210107-01 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

 
PUB20201021 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

 
PUB20200929 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

 
PUB20200906 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

 
PUB2020090601 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

 
PUB20200818 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

 
20200826-01 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

 
PUB2020071601 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

 
20200826-02 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

 
PUB2020080601 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

 
PUB20200612 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

 
20210127-02 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

 
20200622-01 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

 
20200622-02 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

 
20200504-01 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

 
20210107-03 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

 
20200617-04 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

 
untitled 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

 
20200617-02 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

 
PUB20200402 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

 
20200421-01 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

 
20200214-02 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

 
20200214-01 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

 
20200117-01 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

 
20200111-01 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

 
20200202-02 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

 
20200202-01 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

 
A1_11224_Cover page 1.indd 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

 
20191107-01 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

 
20191015-01 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

 
20191001-03 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

 
20191007-03 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

 
20190925-01 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

 
20191007-01 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

 
20190925-02 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

 
20191007-02 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

 
20190724-01 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

 
20190702-06 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

 
20190722-03 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

 
20190513-01 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

 
20190702-09 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

 
20171123-01 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

 
20190520-01 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

 
20190506-01 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

 
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

 
20171123-04 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

 
20171123-03 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

 
Created with Equilibrium MediaRich 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

 
no spine minimum. half size. Editor: Tara  JEM: Esther
RTP: Cathy Fisher 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

 
20191104-01 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

 
20181217-03 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

 
Created with Equilibrium MediaRich 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

 
GC_020_023.indd 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

 
20190307-03 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

 
130 minimum on spine. Editor: Mihaela Rogers, JEM: Diane
RTP: Maureen Murdock 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

 
no spine minimum. half size. Editor: Tamara Hanna  JEM: Esther
RTP: Bryan Nolte 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

 
130 minimum on spine. Editor: Mihaela Rogers, JEM: Diane
RTP: Maureen Murdock 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

 
20181113-04 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

 
20180911-08 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

 
20181016-02 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

 
20180911-05 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

 
20181113-05 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

 
no spine minimum. half size. Editor: Tara  JEM: Esther
RTP: Cathy Fisher 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

 
20180305-01 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

 
130 minimum on spine. Editor: Mihaela Rogers, JEM: Diane
RTP: Maureen Murdock 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

 
20180116-01 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