Supplementary Data for "Structure−Activity Relationships that Identify Metal−Organic Framework Catalysts for Methane Activation"

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Dataset:6716677



DOI10.5281/zenodo.2604144Zenodo2604144MaRDI QIDQ6716677FDOQ6716677

Dataset published at Zenodo repository.

Randall Q. Snurr, Andrew S. Rosen, Justin M. Notestein

Publication date: 23 March 2019

Copyright license: Creative Commons Attribution 4.0 International



DFT-optimized structures, energies, and computed physicochemical properties of metal-organic frameworks that correspond with work in StructureActivity Relationships that Identify MetalOrganic Framework Catalysts for Methane Activation (DOI:10.1021/acscatal.8b05178).







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