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The one-electron self-interaction error in 74 density functional approximations: a case study on hydrogenic mono- and dinuclear systems - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D0CP01275K
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Charge Transfer-Mediated Multi-exciton Mechanisms in Weakly Coupled Perylene Dimers | Chemistry of Materials
Benchmarking the Performance of Time-Dependent Density Functional Theory Methods on Biochromophores | Journal of Chemical Theory and Computation
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Insight into the excited-state double proton transfer mechanisms of doxorubicin in acetonitrile solvent - RSC Advances (RSC Publishing) DOI:10.1039/C7RA08945G
Insight into the excited-state double proton transfer mechanisms of doxorubicin in acetonitrile solvent - RSC Advances (RSC Publishing) DOI:10.1039/C7RA08945G
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Eliminating nonradiative decay in Cu(I) emitters: >99% quantum efficiency and microsecond lifetime | Science
A Thermally Activated Delayed Fluorescence Emitter Investigated by Time‐Resolved Near‐Infrared Spectroscopy - Haselbach - 2023 - Chemistry – A European Journal - Wiley Online Library
Modelling Excitation Energy Transfer in Covalently Linked Molecular Dyads Containing a BODIPY Unit and a Macrocycle†
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Real-Time TD-DFT with Classical Ion Dynamics: Methodology and Applications | Journal of Chemical Theory and Computation
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Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD | The Journal of Physical Chemistry Letters
Modelling excitation energy transfer in covalently linked molecular dyads containing a BODIPY unit and a macrocycle - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/C7CP06814J
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A Thermally Activated Delayed Fluorescence Emitter Investigated by Time‐Resolved Near‐Infrared Spectroscopy - Haselbach - 2023 - Chemistry – A European Journal - Wiley Online Library
0–0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds | Journal of Chemical Theory and Computation
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A Thermally Activated Delayed Fluorescence Emitter Investigated by Time‐Resolved Near‐Infrared Spectroscopy - Haselbach - 2023 - Chemistry – A European Journal - Wiley Online Library
Frontiers | Governing the emissive properties of 4-aminobiphenyl-2-pyrimidine push–pull systems via the restricted torsion of N,N-disubstituted amino groups
Optical Absorption of the Blue Fluorescent Protein: A First-Principles Study | Journal of the American Chemical Society
