ARC–MOF: A Diverse Database of Metal-Organic Frameworks with DFT-Derived Partial Atomic Charges and Descriptors for Machine Learning

Burner, Jake; Luo, Jun; White, Andrew; Mirmiran, Adam; Kwon, Ohmin; Boyd, Peter G.; Maley, Stephen; Gibaldi, Marco; Simrod, Scott; Ogden, Victoria; Woo, Tom K.

doi:10.1021/acs.chemmater.2c02485

ARC–MOF: A Diverse Database of Metal-Organic Frameworks with DFT-Derived Partial Atomic Charges and Descriptors for Machine Learning

Journal Article · 20 January 2023 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.2c02485· OSTI ID:2424386

^[1]; Luo, Jun ^[1]; White, Andrew ^[1]; Mirmiran, Adam ^[1]; Kwon, Ohmin ^[1]; Boyd, Peter G. ^[1]; Maley, Stephen ^[1]; ^[1]; Simrod, Scott ^[1]; Ogden, Victoria ^[1]; ^[1]

Department of Chemistry and Biomolecular Sciences, University of Ottawa, 10 Marie Curie Private, OttawaK1N 6N5, Canada

Not provided.

Research Organization:: Univ. of Ottawa, ON (Canada)

Sponsoring Organization:: USDOE

OSTI ID:: 2424386

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 3 Vol. 35; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

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