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

  • Jason D Goodpaster (Creator)
  • Keying Chen (Creator)
  • Courtney A. Downes (Creator)
  • Eugene Schneider (Creator)
  • Smaranda C. Marinescu (Creator)

Dataset

Description

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

Funding information
Sponsorship: Sponsorship: DE-FG02-17ER16362; MSI; NMGC; NERSC; DE-AC02-05CH11231
Date made available2020
PublisherData Repository for the University of Minnesota
Date of data productionJun 2018 - Feb 2020

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