Quantitative prediction of excited-state decay rates for radical anion photocatalysts
Chemical communications (Cambridge, England)(2023)
摘要
We present a computational approach for predicting key properties of organic radical anions, including excited-state lifetimes and redox potentials. The approach shows good agreement with experimental data and has potential for in silico screening to facilitate the rational design of photocatalysts.
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关键词
radical anion photocatalysts,decay,excited-state
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