Search Results - "Simons, Matthew C."
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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
Published in ACS catalysis (06-04-2018)“…Cluster-based density functional theory calculations show that energy barriers for the dissociative adsorption of propane on two-cation, Co-M oxide clusters…”
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Mechanism of Benzene Hydroxylation on Tri-Iron Oxo-Centered Cluster-Based Metal-Organic Frameworks
Published in Journal of physical chemistry. C (07-12-2023)“…High-valent Fe(IV)-oxo species derived upon reactions of N O with Fe(II) centers-embedded in the framework of tri-iron oxo-centered-based metal-organic…”
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Beyond Radical Rebound: Methane Oxidation to Methanol Catalyzed by Iron Species in Metal–Organic Framework Nodes
Published in Journal of the American Chemical Society (11-08-2021)“…Recent work has exploited the ability of metal–organic frameworks (MOFs) to isolate Fe sites that mimic the structures of sites in enzymes that catalyze…”
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Structure, Dynamics, and Reactivity for Light Alkane Oxidation of Fe(II) Sites Situated in the Nodes of a Metal–Organic Framework
Published in Journal of the American Chemical Society (13-11-2019)“…Metal organic frameworks (MOFs), with their crystalline, porous structures, can be synthesized to incorporate a wide range of catalytically active metals in…”
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Structure, Dynamics, and Reactivity for Light Alkane Oxidation of Fe(II) Sites Situated in the Nodes of a Metal–Organic Framework
Published in Journal of the American Chemical Society (31-10-2019)“…Metal organic frameworks (MOFs), with their crystalline, porous structures, can be synthesized to incorporate a wide range of catalytically active metals in…”
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