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RESEARCH PAPER · Chemical Communications · 2018

Actinide-based MOFs: a middle ground in solution and solid-state structural motifs

Ekaterina A. Dolgopolova, Allison M. Rice, Natalia B. Shustova

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Actinide-based MOFs: a middle ground in solution and solid-state structural motifsOriginalNon-covalent interactions of uranyl complexes: a theoretical study18Uranyl dication mediated photoswitching of a calix[4]pyrrole-based metal coordination cage20Employing an Unsaturated Th 4+ Site in a Porous Thorium–Organic Framework for Kr/Xe Uptake and Separation152Employing an Unsaturated Th4+ Site in a Porous Thorium–Organic Framework for Kr/Xe Uptake and Separation32Restricted Speciation and Supramolecular Assembly in the 5f Block23Hierarchical Materials as Tailored Nuclear Waste Forms: A Perspective123Thorium Oxo‐Clusters as Building Blocks for Open Frameworks37Etude des propriétés d'adsorption d'hydrocarbures par des polymères de coordination en milieu humide0Radionuclide sequestration by metal-organic frameworks5Time-controlled synthesis of the 3D coordination polymer U(1,2,3-Hbtc) 2 followed by the formation of molecular poly-oxo cluster {U 14 } containing hemimellitate uranium( iv )14Elaboration of novel enzymatic immobilization matrices, based on Metal-Organic Frameworks for the catalytic degradation of environmental pollutants0Stabilization of an Unprecedented Hexanuclear Secondary Building Unit in a Thorium-Based Metal–Organic Framework44Synthetic Control of Thorium Polyoxo-Clusters in Metal–Organic Frameworks toward New Thorium-Based Materials40Synthesis and Structure of Three New Alkaline Earth Metal–Organic Frameworks with High Thermal Stability as Catalysts for Knoevenagel Condensation38A Thorium Metal‐Organic Framework with Outstanding Thermal and Chemical Stability50Chemistry of Actinide Centers in Heterogeneous Catalytic Transformations of Small Molecules73A Uranyl-Organic Framework Featuring Two-Dimensional Graphene-like Layered Topology for Efficient Iodine and Dyes Capture76Heterometallic Metal–Organic Frameworks (MOFs): The Advent of Improving the Energy Landscape101Reversible MOF-Based Sensors for the Electrical Detection of Iodine Gas69Sequestration of Radionuclides in Metal–Organic Frameworks from Density Functional Theory Calculations15Disappearing Polymorphs in Metal–Organic Framework Chemistry: Unexpected Stabilization of a Layered Polymorph over an Interpenetrated Three‐Dimensional Structure in Mercury Imidazolate35Two New Coordination Polymers with UO22+ Units and Fluorinated Aromatic Carboxylate Linkers3Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption128Rare-earth metal–organic frameworks: from structure to applications461Self-adjusting binding pockets enhance H 2 and CH 4 adsorption in a uranium-based metal–organic framework29Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework45Reticular exploration of uranium-based metal—organic frameworks with hexacarboxylate building units37Ultrastable Thorium Metal–Organic Frameworks for Efficient Iodine Adsorption162Advancement of Actinide Metal–Organic Framework Chemistry via Synthesis of Pu-UiO-6660From Isolated Molecular Complexes to Extended Networks: Synthesis and Characterization of Thorium Furanmono‐ and Dicarboxylates2A robust Th-azole framework for highly efficient purification of C2H4 from a C2H4/C2H2/C2H6 mixture302Electronic structures and magnetism of Zr-, Th-, and U-based metal-organic frameworks (MOFs) by density functional theory38Rational Design of a Uranyl Metal–Organic Framework for the Capture and Colorimetric Detection of Organic Dyes22Anion-exchanged and quaternary ammonium functionalized MIL-101-Cr metal-organic framework (MOF) for ReO4−/TcO4− sequestration from groundwater39Metal–Organic Frameworks Based on Group 3 and 4 Metals140Metal-organic frameworks as a versatile platform for radionuclide management163Boosting the Iodine Adsorption and Radioresistance of Th‐UiO‐66 MOFs via Aromatic Substitution118Auxiliary Ligand-Dependent Adaptive Regulation of Uranyl Coordination in Mixed-Ligand Uranyl Compounds of Flexible Biphenyltetracarboxylic Acid16Bridging the Transuranics with Uranium(IV) Sulfate Aqueous Species and Solid Phases13Structural, spectroscopic, and computational evaluations of cation–cation and halogen bonding interactions in heterometallic uranyl hybrid materials10The first actinide polyiodate: a complex multifunctional compound with promising X-ray luminescence properties and proton conductivity17Potassium Ions Induced Framework Interpenetration for Enhancing the Stability of Uranium-Based Porphyrin MOF with Visible-Light-Driven Photocatalytic Activity68Beyond structural motifs: the frontier of actinide-containing metal–organic frameworks65Emergence of a thorium–organic framework as a radiation attenuator for selective X-ray dosimetry20Neutron radiography through a SIFaN instrument0Synthesis of luminescent thorium-based metal–organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene10Achieving UV and X-ray Dual Photochromism in a Metal–Organic Hybrid via Structural Modulation38Prediction of Reactive Nitrous Acid Formation in Rare‐Earth MOFs via ab initio Molecular Dynamics28Prediction of Reactive Nitrous Acid Formation in Rare‐Earth MOFs via ab initio Molecular Dynamics9Interpenetration Control in Thorium Metal–Organic Frameworks: Structural Complexity toward Iodine Adsorption35Structural Evolution from Noninterpenetrated to Interpenetrated Thorium–Organic Frameworks Exhibiting High Propyne Storage19Visible colorimetric dosimetry of UV and ionizing radiations by a dual-module photochromic nanocluster109Proximity Effect in Uranyl Coordination of the Cucurbit[6]uril-Bipyridinium Pseudorotaxane Ligand for Promoting Host–Guest Synergistic Chelating11An updated status and trends in actinide metal-organic frameworks (An-MOFs): From synthesis to application145Double-Layer Nitrogen-Rich Two-Dimensional Anionic Uranyl–Organic Framework for Cation Dye Capture and Catalytic Fixation of Carbon Dioxide29Metal-organic frameworks as superior porous adsorbents for radionuclide sequestration: Current status and perspectives52Rational Design of Nonbonded Point Charge Models for Highly Charged Metal Cations with Lennard-Jones 12-6 Potential16Actinide Coordination Chemistry on Surfaces: Synthesis, Manipulation, and Properties of Thorium Bis(porphyrinato) Complexes17The Surge of Metal–Organic-Framework (MOFs)-Based Electrodes as Key Elements in Electrochemically Driven Processes for the Environment22Metal-Organic Frameworks6Discovery of Spontaneous De-Interpenetration Through Charged Point-Point Repulsions20Are you using the right probe molecules for assessing the textural properties of metal–organic frameworks?78UoC-3: A Metal–Organic Framework with an Anionic Framework Based on Uranyl UO22+ Nodes and Partly Fluorinated Benzene-1,3,5-Tribenzoate Linkers22Enhancing photosensitivity via the assembly of a uranyl coordination polymer8Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane2Luminometric dosimetry of X-ray radiation by a zwitterionic uranium coordination polymer5Recent advances in the applications of thorium-based metal–organic frameworks and molecular clusters50Two Uranyl-Organic Frameworks Based on Pyridine Carboxylic Acid and Their Electrochemistry Properties Study0Unveiling the new function of uranyl molecular clusters as fluorometric sensors for UV and X-ray dosimetry8A New Concept of Radiation Detection Based on a Fluorochromic and Piezochromic Nanocluster70Hydrolytically Stable Zr-Based Metal–Organic Framework as a Highly Sensitive and Selective Luminescent Sensor of Radionuclides34Crystal Prediction and Design of Tunable Light Emission in BTB‐Based Metal‐Organic Frameworks5Two uranyl-organic frameworks based on pyridine carboxylic acid and their electrochemistry properties study3Capture Instead of Release: Defect-Modulated Radionuclide Leaching Kinetics in Metal–Organic Frameworks35f‐block MOFs: A Pathway to Heterometallic Transuranics29f‐block MOFs: A Pathway to Heterometallic Transuranics1A robust thorium–organic framework as a bifunctional platform for iodine adsorption and Cr( vi ) sensitization9Energy–structure–property relationships in uranium metal–organic frameworks32Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal–organic frameworks17Recent progress in high-performance environmental impacts of the removal of radionuclides from wastewater based on metal–organic frameworks: a review75Topological control of metal–organic frameworks toward highly sensitive and selective detection of chromate and dichromate32Selective Crystallization of a Highly Radiation-Resistant Isonicotinic Acid-Based Metal–Organic Framework as a Primary Actinide Waste Form23Design of flexible and nanostructured composites by combining Al3+ MOFs and graphene oxide for adsorption applications0A Joint Study of Experimental and Computational Chemistry to Probe the Effect of Coordination Modes on the Luminescence of Uranyl‐Organic Coordination Polymers6Electrochemical deposition for metal organic Frameworks: Advanced Energy, Catalysis, sensing and separation applications48Uranium(IV) and Thorium(IV) Coordination Polymers Based on Tritopic Carboxylic Acids2Adsorption and Detection of Iodine Species by a Thorium-Based Metal–Organic Framework46Evidence of a Uranium‐Paddlewheel Node in a Catecholate‐Based Metal–Organic Framework0Evidence of a Uranium‐Paddlewheel Node in a Catecholate‐Based Metal–Organic Framework6Assembling a Heterobimetallic Actinide Metal‐Organic Framework by a Reaction‐Induced Preorganization Strategy21Assembling a Heterobimetallic Actinide Metal‐Organic Framework by a Reaction‐Induced Preorganization Strategy0Synthetic Control of Thorium Metal‐Organic Frameworks for Sequencing and Sensing of Radioiodine Species20Experimental Investigation of Thermodynamic Stabilization in Boron Imidazolate Frameworks (BIFs) Synthesized by Mechanochemistry6Expanding the Transuranic Metal–Organic Framework Portfolio: The Optical Properties of Americium(III) MOF-7613A facile strategy of designing a new crystalline cobalt metal–organic framework as a new efficient and robust heterogeneous catalyst for olefin oxidation reaction9Unraveling the role of coordinated water in the capture of americium and toxic gases by an ultrastable uranyl phosphonate framework12Mining for Metal–Organic Systems: Chemistry Frontiers of Th-, U-, and Zr-Materials18Exploring Energy-Density Relationships in Uranyl nun-Topology MOFs and Their Topological Isomers2Polysaccharide-based macroporous hydrogels for phytoremediation-inspired water treatment0A uranyl-based luminescent dosimeter for ultralow-dose tracking of UV and X-ray radiation2Metal-organic framework-based materials: From synthesis and characterization routes to electrochemical sensing applications60Influence of Node–Linker Connectivity on Radiolytic Stability of Thorium-Terephthalate Coordination Polymers5From frameworks to firewalls: metal-organic frameworks as smart additives for flame-retardant polymers4Rational design of a rare N-coordinated thorium organic framework for efficient CO2 capture and catalytic conversion2Bioderived Ellagate‐Based Metal–Organic Framework Photocatalysts for Photoenhanced Uranium Sequestration6Metal-organic frameworks for nuclear waste remediation: A review of cutting-edge advances and applications12A Host–Guest Uranium-Based Luminescent MOF for the Sensitive Recognition of Acetone in Water0Programmable Atomic Composition through Transmetalation for Isostructural Multimetallic Metal–Organic Frameworks0Defining stability in metal-organic frameworks through rigorous characterization2

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  1. Non-covalent interactions of uranyl complexes: a theoretical study

    Physical Chemistry Chemical Physics · 2018-01-01

    James A. Platts, Robert J. Baker

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  2. Uranyl dication mediated photoswitching of a calix[4]pyrrole-based metal coordination cage

    Chemical Communications · 2018-01-01

    Juhoon Lee, James T. Brewster, Bo Song, Vincent M. Lynch, Inhong Hwang, Xiaopeng Li, Jonathan L. Sessler

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  3. Employing an Unsaturated Th 4+ Site in a Porous Thorium–Organic Framework for Kr/Xe Uptake and Separation

    Angewandte Chemie International Edition · 2018-03-30

    Yanlong Wang, Wei Liu, Zhuanling Bai, Tao Zheng, Mark A. Silver, Yuxiang Li, Yaxing Wang, Xia Wang, Juan Diwu, Zhifang Chai, Shuao Wang

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  4. Employing an Unsaturated Th4+ Site in a Porous Thorium–Organic Framework for Kr/Xe Uptake and Separation

    Angewandte Chemie · 2018-03-30

    Yanlong Wang, Wei Liu, Zhuanling Bai, Tao Zheng, Mark A. Silver, Yuxiang Li, Yaxing Wang, Xia Wang, Juan Diwu, Zhifang Chai, Shuao Wang

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  5. Restricted Speciation and Supramolecular Assembly in the 5f Block

    Chemistry - A European Journal · 2018-05-14

    Korey Prescott Carter, Robert G. Surbella, Mark Kalaj, Christopher L. Cahill

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  6. Hierarchical Materials as Tailored Nuclear Waste Forms: A Perspective

    Chemistry of Materials · 2018-06-22

    Hans‐Conrad zur Loye, Theodore M. Besmann, Jake Amoroso, Kyle S. Brinkman, Agnès Grandjean, Charles H. Henager, Shenyang Hu, Scott T. Misture, Simon Robert Phillpot, Natalia B. Shustova, Hui Wang, Robert J. Koch, Gregory W. Morrison, Ekaterina A. Dolgopolova

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  7. Thorium Oxo‐Clusters as Building Blocks for Open Frameworks

    Chemistry - A European Journal · 2018-07-10

    Clément Falaise, Károly Kozma, May Nyman

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  8. Etude des propriétés d'adsorption d'hydrocarbures par des polymères de coordination en milieu humide

    Unknown journal · 2018-12-05

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  9. Radionuclide sequestration by metal-organic frameworks

    Elsevier eBooks · 2019-01-01

    Chengliang Xiao, Shuao Wang

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  10. Time-controlled synthesis of the 3D coordination polymer U(1,2,3-Hbtc) 2 followed by the formation of molecular poly-oxo cluster {U 14 } containing hemimellitate uranium( iv )

    RSC Advances · 2019-01-01

    Maxime Dufaye, Nicolas P. Martin, Sylvain Duval, Christophe Volkringer, Atsushi Ikeda‐Ohno, Thierry Loiseau

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  11. Elaboration of novel enzymatic immobilization matrices, based on Metal-Organic Frameworks for the catalytic degradation of environmental pollutants

    Unknown journal · 2019-01-25

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  12. Stabilization of an Unprecedented Hexanuclear Secondary Building Unit in a Thorium-Based Metal–Organic Framework

    Inorganic Chemistry · 2019-02-25

    Peng Li, Subhadip Goswami, Ken‐ichi Otake, Xingjie Wang, Zhijie Chen, Sylvia L. Hanna, Omar K. Farha

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  13. Synthetic Control of Thorium Polyoxo-Clusters in Metal–Organic Frameworks toward New Thorium-Based Materials

    ACS Applied Nano Materials · 2019-03-15

    Peng Li, Xingjie Wang, Ken‐ichi Otake, Jiafei Lyu, Sylvia L. Hanna, Timur İslamoğlu, Omar K. Farha

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  14. Synthesis and Structure of Three New Alkaline Earth Metal–Organic Frameworks with High Thermal Stability as Catalysts for Knoevenagel Condensation

    Crystal Growth & Design · 2019-03-26

    Leila Asgharnejad, Alireza Abbasi, Mahnaz Najafi, Jan Janczak

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  15. A Thorium Metal‐Organic Framework with Outstanding Thermal and Chemical Stability

    Chemistry - A European Journal · 2019-04-10

    Korey Prescott Carter, J. August Ridenour, Mark Kalaj, Christopher L. Cahill

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  16. Chemistry of Actinide Centers in Heterogeneous Catalytic Transformations of Small Molecules

    ACS Catalysis · 2019-04-10

    Jennifer Leduc, Michael Frank, Lasse Jürgensen, David Graf, Aida Raauf, Sanjay Mathur

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  17. A Uranyl-Organic Framework Featuring Two-Dimensional Graphene-like Layered Topology for Efficient Iodine and Dyes Capture

    Inorganic Chemistry · 2019-05-09

    Na Zhang, Yong‐Heng Xing, Feng‐Ying Bai

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  18. Heterometallic Metal–Organic Frameworks (MOFs): The Advent of Improving the Energy Landscape

    ACS Energy Letters · 2019-07-05

    Allison M. Rice, Gabrielle A. Leith, Otega A. Ejegbavwo, Ekaterina A. Dolgopolova, Natalia B. Shustova

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  19. Reversible MOF-Based Sensors for the Electrical Detection of Iodine Gas

    ACS Applied Materials & Interfaces · 2019-07-17

    Leo J. Small, Ryan Christopher Hill, James L. Krumhansl, Mara E. Schindelholz, Zhihengyu Chen, Karena W. Chapman, Xinran Zhang, Sihai Yang⧫, Martin W. Schröder, Tina M. Nenoff

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  20. Sequestration of Radionuclides in Metal–Organic Frameworks from Density Functional Theory Calculations

    The Journal of Physical Chemistry C · 2019-10-14

    Shubham Pandey, Zhilin Jia, Brian J. Demaske, Otega A. Ejegbavwo, Wahyu Setyawan, Charles H. Henager, Natalia B. Shustova, Simon Robert Phillpot

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  21. Disappearing Polymorphs in Metal–Organic Framework Chemistry: Unexpected Stabilization of a Layered Polymorph over an Interpenetrated Three‐Dimensional Structure in Mercury Imidazolate

    Chemistry - A European Journal · 2019-11-22

    Isaiah R. Speight, Igor Huskić, Mihails Arhangelskis, Hatem M. Titi, Robin S. Stein, Timothy P. Hanusa, Tomislav Friščić

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  22. Two New Coordination Polymers with UO22+ Units and Fluorinated Aromatic Carboxylate Linkers

    Zeitschrift für anorganische und allgemeine Chemie · 2019-12-28

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  23. Modulated synthesis and isoreticular expansion of Th-MOFs with record high pore volume and surface area for iodine adsorption

    Chemical Communications · 2020-01-01

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  24. Rare-earth metal–organic frameworks: from structure to applications

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  25. Self-adjusting binding pockets enhance H 2 and CH 4 adsorption in a uranium-based metal–organic framework

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  26. Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework

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  27. Reticular exploration of uranium-based metal—organic frameworks with hexacarboxylate building units

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  28. Ultrastable Thorium Metal–Organic Frameworks for Efficient Iodine Adsorption

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  29. Advancement of Actinide Metal–Organic Framework Chemistry via Synthesis of Pu-UiO-66

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  30. From Isolated Molecular Complexes to Extended Networks: Synthesis and Characterization of Thorium Furanmono‐ and Dicarboxylates

    European Journal of Inorganic Chemistry · 2020-06-19

    Aphra V. Murray, Nicole A. Vanagas, Jennifer N. Wacker, Jeffery A. Bertke, Karah E. Knope

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  31. A robust Th-azole framework for highly efficient purification of C2H4 from a C2H4/C2H2/C2H6 mixture

    Nature Communications · 2020-06-22

    Zhenzhen Xu, Xiao‐Hong Xiong, Jian‐Bo Xiong, Rajamani Krishna, Libo Li, Yaling Fan, Feng Luo, Banglin Chen

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  32. Electronic structures and magnetism of Zr-, Th-, and U-based metal-organic frameworks (MOFs) by density functional theory

    Computational Materials Science · 2020-07-09

    Shubham Pandey, Brian J. Demaske, Otega A. Ejegbavwo, Anna A. Berseneva, Wahyu Setyawan, Natalia B. Shustova, Simon Robert Phillpot

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  33. Rational Design of a Uranyl Metal–Organic Framework for the Capture and Colorimetric Detection of Organic Dyes

    Chemistry - A European Journal · 2020-07-18

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  34. Anion-exchanged and quaternary ammonium functionalized MIL-101-Cr metal-organic framework (MOF) for ReO4−/TcO4− sequestration from groundwater

    Journal of Environmental Radioactivity · 2020-08-06

    Dien Li, Natalia B. Shustova, Corey R. Martin, Kathryn M. L. Taylor-Pashow, John C. Seaman, Daniel I. Kaplan, Jake Amoroso, Roman Chernikov

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  35. Metal–Organic Frameworks Based on Group 3 and 4 Metals

    Advanced Materials · 2020-09-09

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  36. Metal-organic frameworks as a versatile platform for radionuclide management

    Coordination Chemistry Reviews · 2020-09-15

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  37. Boosting the Iodine Adsorption and Radioresistance of Th‐UiO‐66 MOFs via Aromatic Substitution

    Chemistry - A European Journal · 2020-09-22

    Zi‐Jian Li, Yu Ju, Huangjie Lu, Xiaoling Wu, Xinle Yu, Yongxin Li, Xiaowei Wu, Zhi‐Hui Zhang, Jian Hung Lin, Yuan Qian, Mingyang He, Jian‐Qiang Wang

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  38. Auxiliary Ligand-Dependent Adaptive Regulation of Uranyl Coordination in Mixed-Ligand Uranyl Compounds of Flexible Biphenyltetracarboxylic Acid

    Inorganic Chemistry · 2020-11-13

    Junfeng Qian, Wen-Jiang Tian, Song Yang, Zhonghua Sun, Le Chen, Mei-Jun Wei, Zhong Wu, Ming‐Yang He, Zhi‐Hui Zhang, Lei Mei

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  39. Bridging the Transuranics with Uranium(IV) Sulfate Aqueous Species and Solid Phases

    Inorganic Chemistry · 2020-11-19

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  40. Structural, spectroscopic, and computational evaluations of cation–cation and halogen bonding interactions in heterometallic uranyl hybrid materials

    Inorganic Chemistry Frontiers · 2020-12-09

    Korey Prescott Carter, Mark Kalaj, Sapphire McNeil, Andrew Kerridge, Mark H. Schofield, J. August Ridenour, Christopher L. Cahill

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  41. The first actinide polyiodate: a complex multifunctional compound with promising X-ray luminescence properties and proton conductivity

    Chemical Communications · 2020-12-17

    Gabriel L. Murphy, Yaxing Wang, Philip Kegler, Yumin Wang, Shuao Wang, Evgeny V. Alekseev

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  42. Potassium Ions Induced Framework Interpenetration for Enhancing the Stability of Uranium-Based Porphyrin MOF with Visible-Light-Driven Photocatalytic Activity

    Inorganic Chemistry · 2020-12-31

    Zhi‐wei Huang, Kong‐Qiu Hu, Lei Mei, Cui Wang, Yanmei Chen, Wangsuo Wu, Zhifang Chai, Wei‐Qun Shi

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  43. Beyond structural motifs: the frontier of actinide-containing metal–organic frameworks

    Chemical Science · 2021-01-01

    Corey R. Martin, Gabrielle A. Leith, Natalia B. Shustova

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  44. Emergence of a thorium–organic framework as a radiation attenuator for selective X-ray dosimetry

    Chemical Communications · 2021-01-01

    Zhaofa Zheng, Huangjie Lu, Xiaofeng Guo, Zhengyang Zhou, Yumin Wang, Zi‐Jian Li, Guoping Xiao, Yuan Qian, Jian Hung Lin, Jian‐Qiang Wang

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  45. Neutron radiography through a SIFaN instrument

    Unknown journal · 2021-01-01

    ‪Zhehui Wang, Zhong Jiao He, Michael R. James, P.-H. Chu, Jaqueline L. Kiplinger, Christopher L. Morris, Wanyi Nie, Sven C. Vogel, Erik B. Watkins

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  46. Synthesis of luminescent thorium-based metal–organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene

    RSC Advances · 2021-01-01

    Ting Yu, Zhenghua Qian, Lin Li, Xiaoling Wu, Hui He, Yanbo Qiao, Ye Guoan

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  47. Achieving UV and X-ray Dual Photochromism in a Metal–Organic Hybrid via Structural Modulation

    ACS Applied Materials & Interfaces · 2021-01-06

    Huangjie Lu, Zhaofa Zheng, Zi‐Jian Li, Hongliang Bao, Xiao-Jing Guo, Xiaofeng Guo, Jian Hung Lin, Yuan Qian, Jian‐Qiang Wang

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  48. Prediction of Reactive Nitrous Acid Formation in Rare‐Earth MOFs via ab initio Molecular Dynamics

    Angewandte Chemie International Edition · 2021-03-10

    Dayton J. Vogel, Jessica Rimsza, Tina M. Nenoff

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  49. Prediction of Reactive Nitrous Acid Formation in Rare‐Earth MOFs via ab initio Molecular Dynamics

    Angewandte Chemie · 2021-03-10

    Dayton J. Vogel, Jessica Rimsza, Tina M. Nenoff

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  50. Interpenetration Control in Thorium Metal–Organic Frameworks: Structural Complexity toward Iodine Adsorption

    Inorganic Chemistry · 2021-03-19

    Yu Ju, Zi‐Jian Li, Huangjie Lu, Zhengyang Zhou, Yongxin Li, Xiaoling Wu, Xiaofeng Guo, Yuan Qian, Zhi‐Hui Zhang, Jian Hung Lin, Jian‐Qiang Wang, Ming‐Yang He

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