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Jaworska, Maria; Lodowski, Piotr, 2024, "Theoretical investigation of iridium complex with AIE properties", https://doi.org/10.18150/GN36VC, RepOD, V1
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Data include results of calculations for publication Lodowski P. and Jaworska M (2024) Theoretical investigation of iridium complex with AIE properties. Molecules 29 1-16. Calculations performed with the Gaussian16 programme. The methods used were DFT and TD-DFT. The mechanism of blocking the radiationless deactivation of the excited state was investigated through the dimet formation, which is the basis of the AIE phenomenon.
AIE, iridium complex, DFT, TD-DFT, RASTC, quantum chemistry
Lodowski P. and Jaworska M (2024) Theoretical investigation of iridium complex with AIE properties. Molecules 29, 1-16. https://doi.org/10.3390/ molecules29030580 doi: 10.3390/molecules29030580
CC0 Creative Commons Zero 1.0
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