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Sintering-Resistant Single-Site Nickel Catalyst Supported by Metal–Organic Framework

Journal of the American Chemical Society, 2016-02, Vol.138 (6), p.1977-1982

2016

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Negative cooperativity upon hydrogen bond-stabilized O2 adsorption in a redox-active metal–organic framework

Nature communications, 2020-06, Vol.11 (1), p.3087-3087, Article 3087

2020

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Tuning the Surface Chemistry of Metal Organic Framework Nodes: Proton Topology of the Metal-Oxide-Like Zr6 Nodes of UiO-66 and NU-1000

Journal of the American Chemical Society, 2016-11, Vol.138 (46), p.15189-15196

2016

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Bimetallic Cobalt–Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation

Inorganic chemistry, 2015-10, Vol.54 (19), p.9263-9270

2015

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Computationally Guided Discovery of a Catalytic Cobalt-Decorated Metal–Organic Framework for Ethylene Dimerization

Journal of physical chemistry. C, 2016-10, Vol.120 (41), p.23576-23583

2016

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Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis

ACS central science, 2018-01, Vol.4 (1), p.5-19

2018

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Computational Study of First-Row Transition Metals Supported on MOF NU-1000 for Catalytic Acceptorless Alcohol Dehydrogenation

Journal of physical chemistry. C, 2016-11, Vol.120 (43), p.24697-24705

2016

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Unprecedented selectivity in molecular recognition of carbohydrates by a metal-organic framework

Chemical communications (Cambridge, England), 2016-01, Vol.52 (44), p.7094-7097

2016

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Metal–Organic Framework Supported Cobalt Catalysts for the Oxidative Dehydrogenation of Propane at Low Temperature

ACS central science, 2017-01, Vol.3 (1), p.31-38

2017

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Structural and Spectroscopic Characterization of Reaction Intermediates Involved in a Dinuclear Co–Hbpp Water Oxidation Catalyst

Journal of the American Chemical Society, 2016-11, Vol.138 (47), p.15291-15294

2016

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C–H Bond Activation on Bimetallic Two-Atom Co‑M Oxide Clusters Deposited on Zr-Based MOF Nodes: Effects of Doping at the Molecular Level

ACS catalysis, 2018-04, Vol.8 (4), p.2864-2869

2018

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Installing Heterobimetallic Cobalt–Aluminum Single Sites on a Metal Organic Framework Support

Chemistry of materials, 2016-09, Vol.28 (18), p.6753-6762

2016

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Atomic Layer Deposition in a Metal–Organic Framework: Synthesis, Characterization, and Performance of a Solid Acid

Chemistry of materials, 2017-02, Vol.29 (3), p.1058-1068

2017

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Effect of Unsaturation on the Absorption of Ethane and Ethylene in Imidazolium-Based Ionic Liquids

The journal of physical chemistry. B, 2013-06, Vol.117 (24), p.7416-7425

2013

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Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?

Journal of chemical theory and computation, 2018-04, Vol.14 (4), p.1960-1968

2018

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Density matrix renormalization group pair-density functional theory (DMRG-PDFT): singlet-triplet gaps in polyacenes and polyacetylenes

Chemical science (Cambridge), 2019-02, Vol.10 (6), p.1716-1723

2019

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Structure and Dynamics of Zr6O8 Metal–Organic Framework Node Surfaces Probed with Ethanol Dehydration as a Catalytic Test Reaction

Journal of the American Chemical Society, 2018-03, Vol.140 (10), p.3751-3759

2018

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Rhodium catalyzed hydroformylation of olefins

Journal of computational chemistry, 2019-01, Vol.40 (2), p.342-348

2019

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Bimetallic Cobalt–Dinitrogen Complexes: Impact of the Supporting Metal on N 2 Activation

Inorganic chemistry, 2015-10, Vol.54 (19), p.9263-9270

2015

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Tuning the Surface Chemistry of Metal Organic Framework Nodes: Proton Topology of the Metal-Oxide-Like Zr 6 Nodes of UiO-66 and NU-1000

Journal of the American Chemical Society, 2016-11, Vol.138 (46), p.15189-15196

2016

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Valence ππ Excitations in Benzene Studied by Multiconfiguration Pair-Density Functional Theory

The journal of physical chemistry letters, 2019-01, Vol.10 (1), p.75-81

2019

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Catalytic Silylation of Dinitrogen with a Dicobalt Complex

Journal of the American Chemical Society, 2015-04, Vol.137 (14), p.4638-4641

2015

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Molecular Rhodium Complexes Supported on the Metal-Oxide-Like Nodes of Metal Organic Frameworks and on Zeolite HY: Catalysts for Ethylene Hydrogenation and Dimerization

ACS applied materials & interfaces, 2017-10, Vol.9 (39), p.33511-33520

2017

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Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide Complexes

Inorganic chemistry, 2017-02, Vol.56 (3), p.1574-1580

2017

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The role of cations in uranyl nanocluster association: a molecular dynamics study

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (4), p.1847-1854

2020

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Sintering-Resistant Single-Site Nickel Catalyst Supported by Metal–Organic Framework

Negative cooperativity upon hydrogen bond-stabilized O2 adsorption in a redox-active metal–organic framework

Tuning the Surface Chemistry of Metal Organic Framework Nodes: Proton Topology of the Metal-Oxide-Like Zr6 Nodes of UiO-66 and NU-1000

Bimetallic Cobalt–Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation

Computationally Guided Discovery of a Catalytic Cobalt-Decorated Metal–Organic Framework for Ethylene Dimerization

Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis

Computational Study of First-Row Transition Metals Supported on MOF NU-1000 for Catalytic Acceptorless Alcohol Dehydrogenation

Unprecedented selectivity in molecular recognition of carbohydrates by a metal-organic framework

Metal–Organic Framework Supported Cobalt Catalysts for the Oxidative Dehydrogenation of Propane at Low Temperature

Structural and Spectroscopic Characterization of Reaction Intermediates Involved in a Dinuclear Co–Hbpp Water Oxidation Catalyst

C–H Bond Activation on Bimetallic Two-Atom Co‑M Oxide Clusters Deposited on Zr-Based MOF Nodes: Effects of Doping at the Molecular Level

Installing Heterobimetallic Cobalt–Aluminum Single Sites on a Metal Organic Framework Support

Atomic Layer Deposition in a Metal–Organic Framework: Synthesis, Characterization, and Performance of a Solid Acid

Effect of Unsaturation on the Absorption of Ethane and Ethylene in Imidazolium-Based Ionic Liquids

Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?

Density matrix renormalization group pair-density functional theory (DMRG-PDFT): singlet-triplet gaps in polyacenes and polyacetylenes

Structure and Dynamics of Zr6O8 Metal–Organic Framework Node Surfaces Probed with Ethanol Dehydration as a Catalytic Test Reaction

Rhodium catalyzed hydroformylation of olefins

Bimetallic Cobalt–Dinitrogen Complexes: Impact of the Supporting Metal on N 2 Activation

Tuning the Surface Chemistry of Metal Organic Framework Nodes: Proton Topology of the Metal-Oxide-Like Zr 6 Nodes of UiO-66 and NU-1000

Valence ππ Excitations in Benzene Studied by Multiconfiguration Pair-Density Functional Theory

Catalytic Silylation of Dinitrogen with a Dicobalt Complex

Molecular Rhodium Complexes Supported on the Metal-Oxide-Like Nodes of Metal Organic Frameworks and on Zeolite HY: Catalysts for Ethylene Hydrogenation and Dimerization

Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide Complexes

The role of cations in uranyl nanocluster association: a molecular dynamics study

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