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

Goodpaster, Jason D
Chen, Keying
Downes, Courtney
Eugene, Schneider
Marinescu, Smaranda
2020-02-25
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https://hdl.handle.net/11299/211666
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2018-06
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

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University of Minnesota Chemistry Department Goodpaster Lab

Author Contact

Goodpaster, Jason D
jgoodpas@umn.edu

Type

Dataset
Simulation Data

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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CC0 1.0 Universal
 http://creativecommons.org/publicdomain/zero/1.0/

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Data Repository for U of M (DRUM)

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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 Data Repository for the University of Minnesota (DRUM), https://hdl.handle.net/11299/211666.

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