Identifying promising metal-organic frameworks for heterogeneous catalysis via high-throughput periodic density functional theory - researchr publication

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Andrew S. Rosen, Justin M. Notestein, Randall Q. Snurr. Identifying promising metal-organic frameworks for heterogeneous catalysis via high-throughput periodic density functional theory. Journal of Computational Chemistry, 40(12):1305-1318, 2019. [doi]

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