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• W2738846452 abstract "Zr-based metal–organic frameworks (MOFs) are promising supports for copper-based catalysts able to activate methane. Homo- and heterobimetal-functionalized NU-1000 MOF nodes were selected to computationally screen the effect of ancillary metals for C–H bond activation, allowing us to correlate activation free energies with chemical descriptors." @default.
• W2738846452 created "2017-07-31" @default.
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• W2738846452 date "2017-07-25" @default.
• W2738846452 modified "2023-09-28" @default.
• W2738846452 title "Computational Screening of Bimetal-Functionalized Zr₆O₈ MOF Nodes for Methane C–H Bond Activation" @default.
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• W2738846452 doi "https://doi.org/10.1021/acs.inorgchem.7b01334" @default.
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• W2738846452 hasPublicationYear "2017" @default.
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