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 UniversalQuantum ChemistryMetal Organic FrameworksCobalt DithioleneGeometries for Improving and Understanding the Hydrogen Evolving Activity of a Cobalt Dithiolene Metal-Organic FrameworkDataset