Geometries for Improving and Understanding the Hydrogen Evolving Activity of a Cobalt Dithiolene Metal-Organic Framework
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2018-06
2020-02
2020-02
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2020-02
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Geometries for Improving and Understanding the Hydrogen Evolving Activity of a Cobalt Dithiolene Metal-Organic Framework
Published Date
2020-02-25
Author Contact
Goodpaster, Jason D
jgoodpas@umn.edu
jgoodpas@umn.edu
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Abstract
All geometries for DFT calculations performed in the study of CoTHT.
Description
Geometry files are stored in xyz format. Geometries are optimized using the method defined within the manuscript
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Sponsorship: DE-FG02-17ER16362; MSI; NMGC; NERSC; DE-AC02-05CH11231
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Goodpaster, Jason D; Chen, Keying; Downes, Courtney; Eugene, Schneider; Marinescu, Smaranda. (2020). Geometries for Improving and Understanding the Hydrogen Evolving Activity of a Cobalt Dithiolene Metal-Organic Framework. Retrieved from the University Digital Conservancy, https://hdl.handle.net/11299/211666.
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