Computational Screening of Bimetal-Functionalized Zr6O8 MOF Nodes for Methane C–H Bond Activation
收藏Figshare2017-07-25 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Computational_Screening_of_Bimetal-Functionalized_Zr_sub_6_sub_O_sub_8_sub_MOF_Nodes_for_Methane_C_H_Bond_Activation/5242345
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资源简介：
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.
创建时间：
2017-07-25
