Accurate Prediction of Vertical Emission from Excited-State Tuning of Range-Separated Density Functional Theory
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DOI: 10.1021/acs.jpcc.0c04885
Abstract: We report for the first time an excited-state (EX) tuning approach to accurately predict vertical emissions (VEs) based on the study of 36 medium and large organic molecules (∼66 heavy atoms) used ... read more here.
Keywords: excited state; state tuning; vertical emission; prediction vertical ... See more keywords
Mononuclear complexes of FeII, CoII and CoIII containing imine-based ligands of 8-aminoquinoline and 7-aminoindazole: spin state tuning of FeII complexes in solution
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DOI: 10.1039/c9nj01622h
Abstract: Careful selection of the fused ring heterocycle and aldehyde synthons resulted in the spin state tuning of iron(ii) complexes in solution. read more here.
Keywords: mononuclear complexes; complexes feii; complexes solution; spin state ... See more keywords