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Dynamic acidity in defective UiO-66

Chemical science (Cambridge), 2016-01, Vol.7 (7), p.4706-4712

2016

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Imaging defects and their evolution in a metal–organic framework at sub-unit-cell resolution

Nature chemistry, 2019-07, Vol.11 (7), p.622-628

2019

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Unusually Large Band Gap Changes in Breathing Metal–Organic Framework Materials

Journal of physical chemistry. C, 2015-07, Vol.119 (29), p.16667-16677

2015

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Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019

Journal of chemical and engineering data, 2019-12, Vol.64 (12), p.5985-5998

2019

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The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials

Journal of the American Chemical Society, 2017-04, Vol.139 (15), p.5547-5557

2017

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Kinetic Control of Interpenetration in Fe–Biphenyl-4,4′-dicarboxylate Metal–Organic Frameworks by Coordination and Oxidation Modulation

Journal of the American Chemical Society, 2019-05, Vol.141 (20), p.8346-8357

2019

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Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway?

The journal of physical chemistry letters, 2017-04, Vol.8 (7), p.1645-1650

2017

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Extracting an Empirical Intermetallic Hydride Design Principle from Limited Data via Interpretable Machine Learning

The journal of physical chemistry letters, 2020-01, Vol.11 (1), p.40-47

2020

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The Interaction of Hydrogen with the van der Waals Crystal γ -InSe

Molecules (Basel, Switzerland), 2020-05, Vol.25 (11), p.2526

2020

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Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes

Journal of physical chemistry. C, 2013-04, Vol.117 (13), p.6889-6895

2013

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Room Temperature Magnetically Ordered Polar Corundum GaFeO3 Displaying Magnetoelectric Coupling

Journal of the American Chemical Society, 2017-02, Vol.139 (4), p.1520-1531

2017

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Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

ACS central science, 2018-02, Vol.4 (2), p.235-245

2018

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Effects of atomic scale roughness at metal/insulator interfaces on metal work function

Physical chemistry chemical physics : PCCP, 2013-12, Vol.15 (45), p.19615-19624

2013

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Effects of Oxide Roughness at Metal Oxide Interface: MgO on Ag(001)

Journal of physical chemistry. C, 2013-03, Vol.117 (10), p.5075-5083

2013

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Different Conformations of 2′-Deoxycytidine in the Gas and Solid Phases: Competition between Intra- and Intermolecular Hydrogen Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-10, Vol.120 (41), p.8199-8210

2016

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Violations of Löwenstein's rule in zeolites

Chemical science (Cambridge), 2017-11, Vol.8 (11), p.7483-7491

2017

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Porous materials: Look but don't touch

Nature materials, 2017-04, Vol.16 (5), p.501-502

2017

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Tetraphenylethylene‐Based Multicomponent Emissive Metallacages as Solid‐State Fluorescent Materials

Angewandte Chemie International Edition, 2021-05, Vol.60 (22), p.12293-12297

International ed. in English, 2021

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Microporous metallic scaffolds supported liquid infused icephobic construction

Journal of colloid and interface science, 2023-03, Vol.634, p.369-378

2023

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Hexaphenylbenzene‐Based Deep Blue‐Emissive Metallacages as Donors for Light‐Harvesting Systems

Angewandte Chemie International Edition, 2022-08, Vol.61 (34), p.e202207289-n/a

International ed. in English, 2022

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Emissive Platinum(II) Cages with Reverse Fluorescence Resonance Energy Transfer for Multiple Sensing

Journal of the American Chemical Society, 2020-02, Vol.142 (5), p.2592-2600

2020

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Highly Emissive Perylene Diimide-Based Metallacages and Their Host–Guest Chemistry for Information Encryption

Journal of the American Chemical Society, 2020-11, Vol.142 (44), p.18763-18768

2020

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Dynamic acidity in defective UiO-66† †Electronic supplementary information (ESI) available: Computational details; additional AIMD analysis; animations of AIMD simulation; input example. See DOI: 10.1039/c5sc04953a

Chemical science (Cambridge), 2016-03, Vol.7 (7), p.4706-4712

2016

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Rational Design of a Low-Cost, High-Performance Metal–Organic Framework for Hydrogen Storage and Carbon Capture

Journal of physical chemistry. C, 2017-01, Vol.121 (2), p.1171-1181

2017

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Vacant defect and nitrogen doping effects on the interface of graphene/Cu composites: Computational and experimental evaluation

Journal of alloys and compounds, 2022-06, Vol.907, p.164531, Article 164531

2022

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Dynamic acidity in defective UiO-66

Imaging defects and their evolution in a metal–organic framework at sub-unit-cell resolution

Unusually Large Band Gap Changes in Breathing Metal–Organic Framework Materials

Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019

The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials

Kinetic Control of Interpenetration in Fe–Biphenyl-4,4′-dicarboxylate Metal–Organic Frameworks by Coordination and Oxidation Modulation

Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway?

Extracting an Empirical Intermetallic Hydride Design Principle from Limited Data via Interpretable Machine Learning

The Interaction of Hydrogen with the van der Waals Crystal γ -InSe

Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes

Room Temperature Magnetically Ordered Polar Corundum GaFeO3 Displaying Magnetoelectric Coupling

Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

Effects of atomic scale roughness at metal/insulator interfaces on metal work function

Effects of Oxide Roughness at Metal Oxide Interface: MgO on Ag(001)

Different Conformations of 2′-Deoxycytidine in the Gas and Solid Phases: Competition between Intra- and Intermolecular Hydrogen Bonds

Violations of Löwenstein's rule in zeolites

Porous materials: Look but don't touch

Tetraphenylethylene‐Based Multicomponent Emissive Metallacages as Solid‐State Fluorescent Materials

Microporous metallic scaffolds supported liquid infused icephobic construction

Hexaphenylbenzene‐Based Deep Blue‐Emissive Metallacages as Donors for Light‐Harvesting Systems

Emissive Platinum(II) Cages with Reverse Fluorescence Resonance Energy Transfer for Multiple Sensing

Highly Emissive Perylene Diimide-Based Metallacages and Their Host–Guest Chemistry for Information Encryption

Dynamic acidity in defective UiO-66† †Electronic supplementary information (ESI) available: Computational details; additional AIMD analysis; animations of AIMD simulation; input example. See DOI: 10.1039/c5sc04953a

Rational Design of a Low-Cost, High-Performance Metal–Organic Framework for Hydrogen Storage and Carbon Capture

Vacant defect and nitrogen doping effects on the interface of graphene/Cu composites: Computational and experimental evaluation

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