2023
DOI: 10.1021/acs.jctc.3c00931
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Modeling the Fluorescence Quantum Yields of Aromatic Compounds: Benchmarking the Machinery to Compute Intersystem Crossing Rates

Koen Veys,
Manon H. E. Bousquet,
Denis Jacquemin
et al.
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Cited by 7 publications
(1 citation statement)
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“…In cases where the SOC is extremely low, the vibrationally induced SOCs and/or spin-vibronic SOCs 68 could contribute significantly. 53,69 Therefore, the HT-like vibrational SOCs were included in the ISC rate calculations for the transitions with small SOCs (<5 cm −1 ).…”
Section: Resultsmentioning
confidence: 99%
“…In cases where the SOC is extremely low, the vibrationally induced SOCs and/or spin-vibronic SOCs 68 could contribute significantly. 53,69 Therefore, the HT-like vibrational SOCs were included in the ISC rate calculations for the transitions with small SOCs (<5 cm −1 ).…”
Section: Resultsmentioning
confidence: 99%