Geometries for Improving and Understanding the Hydrogen Evolving Activity of a Cobalt Dithiolene Metal-Organic Framework

Goodpaster, Jason DChen, KeyingDownes, CourtneyEugene, SchneiderMarinescu, Smaranda2020-02-252020-02-252020-02-25https://hdl.handle.net/11299/211666Geometry files are stored in xyz format. Geometries are optimized using the method defined within the manuscriptAll geometries for DFT calculations performed in the study of CoTHT.CC0 1.0 Universalhttp://creativecommons.org/publicdomain/zero/1.0/Quantum ChemistryMetal Organic FrameworksCobalt DithioleneGeometries for Improving and Understanding the Hydrogen Evolving Activity of a Cobalt Dithiolene Metal-Organic FrameworkDataset