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Digital Discovery for Sustainable Earth

2024

Scalable Quasiperiodicity of Two-Dimensional Moiré Metal-Organic Frameworks
Kim, J.; Lee, J.; Cho, C.; Nam, J.; Ji, B.; Cho, H.; Shin, H.T.; Sivanesan, D.; Park, S.S.; Kim, J.; Choe, W.

Submitted, Preprint available at ChemRxiv

Data-Driven Search Algorithm for Discovery of Synthesizable Zeolitic Imidazolate Frameworks
Lee, S.; Jeong, H.; Jung, S.; Kim, Y.; Cho, E.; Nam, J.; Yang, D.C.; Oh, H.; Choe, W.

Submitted, Preprint available at ChemRxiv

High-Entropy Zeolitic Imidazolate Frameworks for Dynamic Hydrogen Isotope Separation
Nam, J.; Cho, C.; Jung, S.; Jung, M.; Kim, Y.; Hong, Y.; Lee, S.; Oh, H.; Choe, W.
Angew. Chem. Int. Ed. 2024, e202420379

Pore Structure Modulation in Kirigamic Zeolitic Imidazolate Framework
Nam, J.; Jin, E.; Abylgazina, L.; Getzschmann, J.; Xue, W.; Lee, H.K.; Oh, H.; Moon, H.R.; Henke, S.; Schneemann, A.; Choe, W.

Angew. Chem. Int. Ed. 2024, e202417137

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Anisotropy-Guided Interface Molecular Engineering for Stable Blue Electroluminescence
Hwang, E.; Jo, U.; Kim, J.; Roh, D.-H.; Kim, S. C.; Kim, M.; Ki, H.-C.; Choe, W.; Lee, J. Y.; Kwon, T.-H.

Chem 2025, 11, 1-14

Programmable Merged-Net Porphyrinic Metal-Organic Frameworks for Water Sorption
Lee, J.; Park, D.; Jin, E.; Lee, S.; Lee, J.; Oh, H.; Choe, W.

Adv. Funct. Mater. 2024, 2413200

Up–down approach for expanding the chemical space of metal–organic frameworks
Kim, J.; Nam, D.; Cho, H.J.; Cho, E.; Sivanesan, D.; Cho, C.; Lee, J.; Kim, J.; Choe, W.

Nat. Synth. 2024, 3, 1518-1528

Featured in the sites below.

Parsimonious Topology Based on Frank-Kasper Polyhedra in Metal–Organic Frameworks
Lee, S.; Lee, S.; Kwak, Y.; Yousaf, M.; Cho, E.; Moon, H.R.; Cho, S.J.;Park, N.; Choe, W.

JACS Au, 2024, 4, 2539-2546

Chemo- and Regioselective Nickel-Catalyzed Reductive 1,4-Alkylarylation of 1,3-Enynes through an L2NiAr Intermediate
Jeon, J.H.; Kim, G.H.; Lee, H.S.; Kim, D.H.; Lee, S.; Choe, W.; Jung, B.; Rohde, J.-U. Hong, S.Y.

ACS Catal. 2024, 14, 8996-9007

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Zeolitic Imidazolate Frameworks as Solid-State Nanomachines
Nam, J.; Kim, S.; Jin, E.; Lee, S.; Cho, H.J.; Min, S.K.; Choe, W.

Angew. Chem. Int. Ed. 2024, 63, e202404061
Selected as Hot Paper and appeared in Hot Topic: Robotics

Nickel-Catalyzed Mono- and Dihydrosilylation of Aliphatic Alkynes in Aqueous and Aerobic Conditions
Lee, C.; Jeon, J.H.; Lee, S.; Choe, W.; Kwak, J.; Seo, S.; Hong, S.Y.; Jung, G.

ACS Catal. 2024, 14, 5077-5087

Isolation and Reactivity of Arylnickel(II) Complexes in Nickel-Catalyzed Borylation of Aryl Fluorosulfates
Sahoo, M.K.; Lee, J.W.; Lee, S.; Choe, W.; Jung, B.; Kwak, J.; Hong, S.Y.

JACS Au 2024, 4, 1646-1653

Unveiling Energy Transfer Mechanisms in Nanographene-Incorporated Metal-Organic Frameworks
Lee, J.; Hwang, E.; Kim, T.I.; Jin, E.; Cho, E.; Park, Y.S.; Min, S.K.; Kwon, T.-H.; Choe, W.

ACS Materials Lett. 2024, 6, 1151-1159

2023

Origamic Metal-Organic Framework Toward Mechanical Metamaterial
Jin, E.; Lee, I. S.; Yang, D. C.; Moon, D.; Nam, J.; Cho, H.; Kang, E.; Lee, J.; Noh, H.-J.; Min, S. K.; Choe, W.

Nat. Commun. 2023, 14, 7938

Increasing Chemical Diversity of B2N2 Anthracene Derivatives by Introducing Continuous Multiple Boron-Nitrogen Units
Jeong, S; Park, E.; Kim, J.; Park, S. B.; Kim, S. H.; Choe, W.; Kim, J.; Park, Y. S.

Angew. Chem. Int. Ed. 2023, e202314148

Full-Hexacyanometallate Aqueous Redox Flow Batteries Exceeding 1.5 V in an Aqueous Solution
Jang, J.E.; Kim, R.A.; Jayasubramaniyan, S.; Lee, C.; Choi, J.; Lee, Y.; Kang, S.; Rye, J.; Lee, S.W.;
Cho, J.; Lee, D.W.; Song, H.K.; Choe, W.; Seo, D.H.; Lee, H.W.

Adv. Energy Mater. 2023, 13, 2300707

Targeted Adsorptive Removal of Nonsteroidal Anti-inflammatory Drugs for Water Purification Using Nanoporous Zr-based Metal-Organic Framework Microcubes
Cho, H. J.; Kang, E.; Kim, S.; Yang, D. C.; Nam, J.; Jin, E.; Lee, J.; Choe, W.
ACS Appl. Nano Mater. 2023 6 7342-7350

Evolution of Zr Nodes in Metal-Organic Frameworks
Nam, D.; Kim, J.; Choe, W.
Trends Chem 2023 5 339-352

Protein-precoated surface of metal-organic framework nanoparticles for targeted delivery
Oh, J. Y.; Choi, E.; Jana, B.; Go, E. M.; Jin, S.; Jin, E.; Lee, J.; Bae, J.-h.; Yang, G.; Kwak, S. K.; Choe, W.; Ryu, J.-H.
Small 2023, 2300218

Unveiling Hidden Zeolitic Imidazolate Frameworks Guided by Intuition-Based Geometrical Factors
Lee, S.; Nam, D.; Yang, D. C.; Choe, W.

Small 2023, 19, 2300036

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Nanozyme based on Porphyrinic Metal-Organic Framework for Electrocatalytic CO2 Reduction
Lee, J.; Choi, H.; Mun, J.; Jin, E.; Lee, S.; Nam, J.; Umer, M.; Cho, J.; Lee, G.; Kwon, Y.; Choe, W.
Small Struct. 2023, 4, 2200087.

2022

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Understanding the Structural Collapse during Activation of Metal–Organic Frameworks with Copper Paddlewheels
Mohamed, S. A.; Kim, Y.; Lee, J.; Choe, W.; Kim, J.

Inorg. Chem. 2022, 61, 9702-9709.

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Rapid access to polycyclic N-heteroarenes from unactivated, simple azines via a base-promoted Minisci-type annulation
Lee, L.; Kim, G.; Jeon, J.; Jeong, S.; Lee, S.; Park, J.; Lee, D.; Kwon, Y.; Seo, J.; Chun, J.; Kang, S.; Choe, W.; Rohde, J.; Hong, S.;

Nat Commun 13, 2421 (2022).

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Mining Insights on Metal-Organic Framework Synthesis from Scientific Literature Texts
Park, H.; Kang, Y.; Choe, W.; Kim, J.

J. Chem. Inf. Model. 2022, 62, 5, 1190–1198

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Synthesis of α,β-unsaturated ketones through nickel-catalysed aldehyde-free hydroacylation of alkynes
Rhlee, J. H.; Maiti, S.; Lee, J. W.; Lee, H. S.; Bakhtiyorzoda, I. A.; Lee, S.; Park, J.; Kang, S. J.; Kim, Y. S.; Seo, J. K.; Myung, K.; Choe, W.; Hong, S. Y.

Commun. Chem. 2022, 5, 13

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Modulating Energetic Characteristics of Multicomponent 1D Coordination Polymers: Interplay of Metal-Ligand Coordination Modes
Cho, H.; Kim, Y.; Lee, S.; Kwon, K.; Yoo, H. W.; Moon, H. R.; Choe, W.

Inorg. Chem. 2022, 61, 1881−1887

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Tetrazole-Based Energetic Metal-Organic Frameworks:Impacts of Metals and Ligands on Explosive Properties
Cho, S.; Kim, Y.; Lee, S.; Cho, H; Park, J.; Hong, D. H.; Kwon, K.; Yoo, H. -W.; Choe, W.; Moon, H. R.

Eur. J. Inorg. Chem., 2022, e202100757.

2021

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PN-doped tetraphenylnaphthalene: A straightforward synthetic strategy analogous to BN-annulation
Park, J.; Kim, S. J.; Kwon, H.; Jin, E.; Yoon, K.; Shadman, S.; Choe, W.; Kim, J.; Park, Y. S.

Chem. Commun., 2021,57, 12147-12150

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Design of Porphyrinic Metal–Organic Frameworks
Lee, S.; Choe, W.

Porphyrin-based Supramolecular Architectures: From Hierarchy to Functions, RSC, 2022.

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신개념 다공성 고체, 금속-유기 다면체의 최신 현황과 전망
Kim, J.; Choe, W.
화학세계 (Korean Chemical Society Magazine), 2021, 61(11), 28-35.

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Impact of Zr6 Node in a Metal-Organic Framework for Adsorptive Removal of Antibiotics from Water
Cho, H.J.; Kang, E.; Kim, S.; Yang, D.C.; Nam, J.; Jin, E.; Choe, W.
Inorg. Chem. 2021, 60, 22, 16966–16976

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Adsorptive Removal of Industrial Dye by Nanoporous Zr porphyrinic Metal-Organic Framework Microcubes
Jin, E.; Kim, J.; Nam, J.; Yang, D.C.; Jeong, H.; Kim, S.; Kang, E.; Cho, H.J.; Choe, W.
ACS Appl. Nano Mater. 2021, 4, 10, 10068-10076

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상하수도에 존재하는 미량의약물질 모니터링 현황과 개선 방향
Kang, E.; Kong, B.; Choe, W.
과학기술정책, 2021, 4(1), 137-168

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Role of Zr6 Metal Nodes in Zr-Based Metal-Organic Frameworks for Catalytic Detoxification of Pesticides
Nam, D.; Kim, Y.; Kim, M.; Nam, J.; Kim, S.; Jin, E.; Lee, C. Y.; Choe, W.

Inorg. Chem. 2021, 60, 14, 10249-10256

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The Rise of Metal-Organic Polyhedra

Lee, S.; Jeong, H.; Nam, D.; Lah, M.; Choe, W.

 

Chem. Soc. Rev. 2021, 50, 528-555.

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Discovery of Zr-Based Metal-Organic Polygon: Unveiling New Design Opportunities in Reticular Chemistry
Kim, J.; Nam, D.; Kitagawa, H.; Lim, D.-W.; Choe, W.

Nano Res. 2021, 14, 392–397.
Invited contribution to the Special Issue on the topic of "Future Directions of Reticular Chemistry"

2020

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Metal-Organic Frameworks as Advanced Adsorbents for Pharmaceutical and Personal Care Products
Jin, E.;  Lee, S.;  Kang, E.; Kim Y.; Choe, W.

Coord. Chem. Rev. 2020. 425. 213526.

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Unveiling 79-Year-Old Ixene and its BN-Doped Derivative

Pati, P. B.; Jin, E.; Kim, Y.; Kim, Y.; Mun, J.; Kim, S. J.; Kang, S. J.; Choe, W.; Lee, G.; Shin, H.-J.; Park, Y. S.

Angew. Chem. Int. Ed. 2020, 59, 14891–14895.

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Chemo- and Regioselective Click Reactions through Nickel-Catalyzed Azide–Alkyne Cycloaddition
Kim, W. G.; Baek, S.; Jeong, S. Y.; Nam, D.; Jeon, J. H.; Choe, W.; Baik, M.-H.; Hong, S. Y.

Org. Biomol. Chem. 2020, 18, 3374–3381

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Trivalent Copper and Indium Heterometallic Complex with Dithiocarbamate and Iodide Ligands

Lee, H.; Jung, S.; Cha, J.; Nam, D.; Choe, W.; Jung, D.

J. Mol. Struct. 2020, 1204. 127478.

2019

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MOF X Biopolymer: Collaborative Combination of Metal-Organic Framework and Biopolymer for Advanced Anticancer Therapy

Kim, K.; Lee, S.; Jin, E.;  Palanikumar, L.; Lee, J. H.; Kim, J. C.; Nam, J. S.; Kwon, T.-H.; Kwak, S. K.; Choe, W.; Ryu, J.-H.

ACS Appl. Mater. Interfaces 2019, 11, 27512-27520.

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Tuning of the flexibility in metal-organic frameworks based on pendant arm macrocycles

Jeoung, S.; Lee, S.; Lee, J. H.; Lee, S.; Choe, W.; Moon, D.; Moon, H. R.

Chem. Commun., 2019,55, 8832-8835.

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Formation of Trigons in a Metal-Organic Framework: The Role of Metal-Organic Polyhedron Subunits as Meta-Atoms

Lee, J.; Choi, J. S.; Jeong, N. C.; Choe. W.

Chem, Sci, 2019, 10, 6157-6161.

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Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostabiliy

Maiti, S.; Kim, J.; Park, J.-H.; Nam, D.; Lee, J.B.; Kim, Y,-J.; Kee, J.-M.; Seo, J. K.; Myung, K.; Rohde. J.-U.; Choe, W.; Kwon, O,-H.; Hong, S. Y. 

J. Org. Chem. 2019, 84, 6737-6751.

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MOP X MOF: Collaborative Combination of Metal-Organic Polyhedra and Metal-Organic Framework for Proton Conductivity

Lee, J.; Lim, D.-W.; Dekura, S.; Kitagawa, H.; Choe. W.

    

ACS Appl. Mater. Interfaces 2019, 11, 12639-12646.

2018

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Organic Phototransistors Based on Self‐Assembled Microwires of n‐Type Distyrylbenzene Derivative

Lee, Y. H.; Shin, D.-S.; Kim, D. Y.; Nam, D.; Choe, W.; Hong, S. Y.; Oh, J. H.

    

Asian J. Org. Chem. 2018, 7, 2302-2308.

Lee, H. H.; Nam, D.; Kim, C.-K.; Kim, K.; Lee, Y.; Ahn, Y. J.; Lee, J. B.; Kwak, J. H.; Choe, W.; Choi. N.-S.; Hong, S. Y.
    
ACS Appl. Mater. Interfaces 2018, 10, 10096.

2017

Nam, D.; Huh, J.; Lee, J.; Kwak, J. H.; Jeong, H. Y.; Choi, K.; Choe, W.

    

Chem. Sci. 2017, 8, 7765.

Mathew, B. P.; Yang, H. J.; Kim, J.; Lee, J. B.; Kim, Y.-T.; Lee, S.; Lee, C. Y.; Choe, W.; Myung, K.; Park, J.-U.; Hong, S. Y. 

    

Angew. Chem. Int. Ed. 2017, 56, 5007-5011.

Prior to UNIST

Burnett, B. J.; Choe, W.

   

Cryst EngComm. 2012, 14, 6129.​

Burnett, B. J.; D.; Barron, P. M.; Choe, W. 

  

Dalton Trans., 2012,41, 3889 (Invited).

DeVries, L. D.; Barron, P. M.; Hurley, E. P.; Hu, C,; Choe ,W.

  

J. Am. Chem. Soc., 2011, 133 (38), 14848

Burnett, B. J.; Barron, P. M.; Hu, C.; Choe, W. 

  

J. Am. Chem. Soc. 2011, 133, 9984.

Barron, P. M.; Wray, C. A.; Hu, C.; Guo, Z.; Choe, W. 

  

Inorg. Chem, 2010, 49, 10217.

Rojas, G.; Chen. X.; Bravo, C.; Kim, J.; Kim, J. –S.; Dowben, P.; Gao, Y.; Zeng, X.C.; Choe, W.; Enders, A. J.
   
Phys. Chem. C. 2010, 114, 9408.

Choi, E.-Y.; DeVries, L. D.; Novotny, R. W.; Hu, C.; Choe, W. 

   

Cryst. Growth Des. 2010, 10, 171.

Chung, H.; Barron, P. M.; Novotny, R. W.; Son, H.-T.; Hu, C.; Choe, W. 

  

Cryst. Growth Des. 2009, 9, 3327.

Barron, P. M; Son, H. –T. 

   

Cryst. Growth Des. 2009,  9, 1960.

Choi, E.-Y. Barron, P. M.; Novotny, R. W. Son, H. –T.; Hu, C.; Choe, W. 

  

Inorg. Chem. 2009, 48, 426.

Choi, E.-Y.; Wray, C. A.; Hu, C.; Choe, W. 

  

CrystEngComm, 2009, 11, 553.  
 

Choi, E. –Y.; Barron, P. M.; Novotny, R. W.; Hu, C.; Kwon, Y.-K.; Choe, W. 

  

CrystEngComm.2008, 10, 824.

Hollow and Solid Spherical Magnetostrictive Particulate Composites.  Nersessian, N.; Or, S. W.; Carman,* G. P.; Choe, W.; Radousky, H. B. J. Appl. Phys. 2004, 96(6), 3362.  

 

Forced Volume Magnetostriction in Composite Gd5Si2Ge2.  Nersessian, N.; Or, S. W.; Carman,* G. P.; McCall, S.; Choe, W.; Radousky, H. B.; Pecharsky, V. K.; Pecharsky, A. O. Proceedings of SPIE-The International Society for Optical Engineering  2004,  5387,  64.  

Gd5Si2Ge2 Composite for Magnetostrictive Actuator Applications.  Nersessian, N.; Or, S. W.; Carman,* G. P.; McCall, S. K.; Choe, W.; Radousky, H. B.; McElfresh, M. W.; Pecharsky, V. K.; Pecharsky, A.O. Appl. Phys. Lett. 2004, 84(23),  4801. 

Temperature- and Magnetic-Field-Induced Phase Transformation in Bulk and Composite Gd5Si2Ge2. Nersessian, N.; Or, S. W.; Carman,* G. P.; Choe, W.; Radousky, H. B.; Pecharsky, V. K.; Pecharsky, A. O. Proceedings of SPIE-The International Society for Optical Engineering  2003,  5053,  25.  

Phase Transformation Driven by Valence Electron Concentration: Tuning the Interslab Bond Distances in Gd5GaxGe4-x. Mozharivskyj, Y.; Choe, W.; Pecharsky, A. O.; Miller,* G. J. J. Am. Chem. Soc. 2003, 125,  15183.

Nanoscale Zippers in Gd5(SixGe1-x)4: Symmetry and Chemical influences on the Molecular Zipping Action. Choe, W.; Miller,* G. J.; Pecharsky, A. O. Inorg. Chem. 2003, 42, 8223.

Anisotropy and Large Magnetoresistance in the Narrow-Gap Semiconductor FeSb2. Petrovic, C.; Kim, J. W.; Bud'ko, S. L.; Goldman, A. I.; Canfield,* P. C.; Choe, W.; Miller, G. J. Phys. Rev. B 2003, 67, 155205.

Nanoscale Zippers in Crystalline Solids: Structural Variation in the Magnetocaloric Material Gd2Si1.5Ge2.5. Choe, W.; Miller,* G. J.; Meyers, J.; Chumbley, S. Chem. Mater. 2003, 15, 1413.

Gd2AlGe2: An Almost Zintl Phase and a New Stacking Variant of the W2CoB2 Type. Choe, W.; McWhoter, S.; Miller,* G. J. Z. Anorg. Alleg. Chem. 2002, 628, 1575.

Structure and Bonding around the Zintl Border. In Inorganic Chemistry Highlights, Miller,* G. J.; Lee, C.-S.; Choe, W. 2002, VCH.

Microstructural Analysis of Twinned Beta-Gd5Si2Ge2. Meyers, J.; Chumbley,* S.; Choe, W.; Miller, G. J. Phy. Rev. B 2002, 66, 012106

               

     

Crystal Structure and Magnetism of Gd2MgGe2. Choe, W.; Levin, E. M.; Miller,* G. J. J. Alloys Compd.  2001, 329, 121.

 

Making and Breaking Covalent Bonds across the Magnetic Transition in the Giant Magnetocaloric Material Gd5Si2Ge2. Choe, W.; Pecharsky,* V. K.; Miller, G. J.; Pecharsky, A. O.; Gschneidner, K. A. Jr.; Young, V. G. Jr. Phy. Rev. Lett.  2000, 84, 4617. 

Persistent Honeycomb Structures in Porus and Other Two Component Solids. Kiang, Y. –H.; Lee,* S.; Xu, Z.; S. Choe, W.; Gardner, G. B.; Adv. Mater. 2000, 12, 767. 

Coordination Networks of C3v and C2v Phenylacetylene Nitrile and Silver(I) Salts: Interplay of Ligand Symmetry and Molecular Dipole moments in the Solid State. Choe, W.; Xu, Z.; Kiang, Y. –H.; Lee,* S. Chem. Mater. 1999, 11, 1776.

Synthesis and Structure of Three Copper Tellurides: BaDyCuTe3, K1.5Dy2Cu2.5Te5, and Acentric K0.5Ba0.5DyCu1.5Te3. Huang, F.; Choe, W.; Lee,* S. Chem. Mater. 1998, 10, 1320.

Synthesis and Structure of New Cd-Bi-S Homologous Series: A Study in Intergrowth and the Control of Twinning Patterns. Choe, W.; Lee,* S.; O'Connell, P.; Covey, A. Chem. Mater. 1997, 9, 2025.

 

Large Porous Organic and Coordination Extended Solids. Venkataraman, D.; Gardner, G.; Covey, A.; Rudalevige, T.; Choe, W.; Wu, Z.; Zhang, J.; Moore, J. S.; Lee,* S. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.) 1995, 36(1), 556.

A Spectroscopic Study on the Existence of Copper(3+) or Peroxide in the Superconducting YBa2Cu3-xCoxO7 phase. Choy,* J. H.; Choe, W. Y.; Jung, D. Y. J. Phys. Chem. Solids 1991, 52(3), 545.

Preparation, Structure, and Photoemission Studies on the High Temperature Superconductor YBa2Cu3-xNixO7. Choy,* J. H.; Choe, W. Y. Bull. Korean Chem. Soc. 1990, 11, 379.

Preparation of 90 K Superconductor Yttrium Barium Copper Oxide, YBa2Cu3O7 via Oxide Precursors Barium Copper Oxide (BaCuO2) and Yttrium Copper Oxide, Y2Cu2O5. Choy,* J. H.; Choe, W. Y.; Choi, Q. W. Mater. Res. Bull. 1989, 24, 867.

 

 

Determination of the Copper Valency and the Oxygen Deficiency in the High-Tc Superconductor Yttrium Barium Copper Oxide (YBa2Cu3O7). Choy,* J. H.; Choi, S. Y.; Byeon, S. H.; Chun, S. H.; Hong, S. T.; Jung, D. Y.; Choe, W. Y.; Park, Y. W. Bull. Korean Chem. Soc. 1988, 9, 289.

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