Quantitative prediction of excited-state decay rates for radical anion photocatalysts
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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.
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Zenodo创建时间：
2023-07-11
