Published May 25, 2023 | Version v1
Dataset Open

Quantitative prediction of excited-state decay rates for radical anion photocatalysts

Authors/Creators

  • 1. Leandro D.
  • 2. José Luis
  • 3. Sofia
  • 4. Patrick
  • 5. Miguel A.
  • 6. Franziska
  • 7. Robert
  • 8. Stefan
  • 9. Javier I.

Description

The input and output files related to the DFT calculations carried out for the work entitled "Quantitative prediction of excited-state decay rates for radical anion photocatalysts" are loaded in this repository.

The zip file contains the optimized geometries of the compounds involved in the job.

 

Files

xyz-CAM-B3LYP-631+gd-pcm.zip

Files (9.2 GB)

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