The Best Models of Bodipy's Electronic Excited State: Comparing Predictions from Various DFT Functionals with Measurements from Femtosecond Stimulated Raman Spectroscopy.

J Phys Chem A · 2023 · PMC10561280 · PMID 37751471

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closest p

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a clear trendno p-value reported

As a result, we observed a clear trend where all XCFs that include between 20 and 30% of HFX (B3LYP, PBE0, and M06) performed the best, regardless of their functional form.

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