- Rational Design of Organic Emitters with Inverted Singlet-Triplet Gaps for Enhanced Exciton Management
- Investigation of the Relationship between Quantum Yield, Charge-Transfer State, and Structure of the Ligands in Red-Emitting Heteroleptic Iridium(III) Complexes
- Benchmarking Charge-Transfer Excited States in TADF Emitters: ΔDFT Outperforms TD-DFT for Emission Energies
- TADF Blue Emitters with Balanced π-Conjugation─Design, Synthesis, Spectral Characterization, and a Model OLED with 8-(5-(tert-Butyl)-1,3,4-oxadiazol-2-yl)-N,N-bis(4-(tert-butyl)phenyl)dibenzo[b,d]furan-2-amine
- Multireference Ab Initio Calculations on Excited Electronic States of Carbazole-Based Organic Compounds for Thermally Activated Delayed Fluorescence
- Role of Bridging Groups in Regulating the Luminescence and Charge Transfer Properties of Thermally Activated Delayed Fluorescence Molecules: A Theoretical Perspective
- Ultrafast Computational Screening of Molecules with Inverted Singlet-Triplet Energy Gaps Using the Pariser-Parr-Pople Semiempirical Quantum Chemistry Method
- Theoretical Research and Photodynamic Simulation of Aggregation-Induced Thermally Activated Delayed Fluorescence Materials for Organic Light-Emitting Diodes
- Insights into the Luminescence Quantum Yields of Cyclometalated Iridium(III) Complexes: A Density Functional Theory and Machine Learning Approach
- Theoretical Insights into the Optical and Excited State Properties of Donor-Phenyl Bridge-Acceptor Containing Through-Space Charge Transfer Molecules
