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 by Simons, Matthew C, Ortuño, Manuel A, Bernales, Varinia, Gaggioli, Carlo Alberto, Cramer, Christopher J, Bhan, Aditya, Gagliardi, Laura

    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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    Journal Article
  2. 2

    Mechanism of Benzene Hydroxylation on Tri-Iron Oxo-Centered Cluster-Based Metal-Organic Frameworks by Vitillo, Jenny G, Choudhary, Madhuresh, Simons, Matthew C, Gagliardi, Laura, Bhan, Aditya

    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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    Journal Article
  3. 3

    Beyond Radical Rebound: Methane Oxidation to Methanol Catalyzed by Iron Species in Metal–Organic Framework Nodes by Simons, Matthew C, Prinslow, Steven D, Babucci, Melike, Hoffman, Adam S, Hong, Jiyun, Vitillo, Jenny G, Bare, Simon R, Gates, Bruce C, Lu, Connie C, Gagliardi, Laura, Bhan, Aditya

    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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    Journal Article
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