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Theoretical studies on full-color thermally activated delayed fluorescence molecules
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Nonequilibrium solvation theory for the polarizable continuum model: A new formulation at theSCF level with application to the case of the frequency-dependent linear electric response function
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Impact of secondary donor units on the excited-state properties and thermally activated delayed fluorescence (TADF) efficiency of pentacarbazole-benzonitrile emitters
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October 2020 |
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Efficient triplet harvesting by fluorescent molecules through exciplexes for high efficiency organic light-emitting diodes
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April 2013 |
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Relationship between Absorption Intensity and Fluorescence Lifetime of Molecules
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August 1962 |
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White organic light-emitting diodes with fluorescent tube efficiency
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May 2009 |
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The role of intermolecular interactions in regulating the thermally activated delayed fluorescence and charge transfer properties: a theoretical perspective
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January 2020 |
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Electron Transfer Reactions in Condensed Phases
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Nuclear tunneling effects of charge transport in rubrene, tetracene, and pentacene
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Thermally Activated Delayed Fluorescence Sensitization for Highly Efficient Blue Fluorescent Emitters
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September 2020 |
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Theoretical Study of Conversion and Decay Processes of Excited Triplet and Singlet States in a Thermally Activated Delayed Fluorescence Molecule
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June 2017 |
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Highly Efficient Near-Infrared Thermally Activated Delayed Fluorescence Molecules via Acceptor Tuning: Theoretical Molecular Design and Experimental Verification
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February 2021 |
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Calculation from First Principles of Intramolecular Golden-Rule Rate Constants for Photo-Induced Electron Transfer in Molecular Donor–Acceptor Systems
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October 2013 |
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Discovery and characterization of an acridine radical photoreductant
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April 2020 |
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Electronic excitation energies of molecules in solution: State specific and linear response methods for nonequilibrium continuum solvation models
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March 2005 |
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Calculation from First-Principles of Golden Rule Rate Constants for Photoinduced Subphthalocyanine/Fullerene Interfacial Charge Transfer and Recombination in Organic Photovoltaic Cells
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April 2014 |
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Promising operational stability of high-efficiency organic light-emitting diodes based on thermally activated delayed fluorescence
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July 2013 |
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Electrostatic Free Energy and Other Properties of States Having Nonequilibrium Polarization. I
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May 1956 |
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Quantitative Prediction of Optical Absorption in Molecular Solids from an Optimally Tuned Screened Range-Separated Hybrid Functional
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May 2018 |
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Theoretical studies on thermally activated delayed fluorescence mechanism of a series of organic light‐emitting diodes emitters comprising 2,7‐diphenylamino‐9,9‐dimethylacridine as electron donor
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October 2018 |
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Linear response theory for the polarizable continuum model
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May 1999 |
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Explaining Spectral Asymmetries and Excitonic Characters of the Core Pigment Pairs in the Bacterial Reaction Center Using a Screened Range-Separated Hybrid Functional
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September 2019 |
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Influence of the Dielectric Constant around an Emitter on Its Delayed Fluorescence
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October 2019 |
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Electron transfer reactions in chemistry. Theory and experiment
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July 1993 |
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Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles
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December 2009 |
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Thermally activated delayed fluorescence in dibenzothiophene sulfone derivatives: Theory and experiment
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February 2019 |
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Excited states and solvatochromic shifts within a nonequilibrium solvation approach: A new formulation of the integral equation formalism method at the self-consistent field, configuration interaction, and multiconfiguration self-consistent field level
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Nearly 100% internal phosphorescence efficiency in an organic light-emitting device
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Highly efficient phosphorescent emission from organic electroluminescent devices
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A practical method for the use of curvilinear coordinates in calculations of normal-mode-projected displacements and Duschinsky rotation matrices for large molecules
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Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals
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November 2018 |
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Vibronic structure of photosynthetic pigments probed by polarized two-dimensional electronic spectroscopy and ab initio calculations
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January 2019 |
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Chemical and conformational control of the energy gaps involved in the thermally activated delayed fluorescence mechanism
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January 2018 |
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The Bethe–Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features
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January 2018 |
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Screened Range-Separated Hybrid Functional with Polarizable Continuum Model Overcomes Challenges in Describing Triplet Excitations in the Condensed Phase Using TDDFT
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April 2020 |
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Chemical Dynamics in Condensed Phases
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One-Step Treatment of Spin–Orbit Coupling and Electron Correlation in Large Active Spaces
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December 2017 |
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The Role of Intermolecular Interactions on the Performance of Organic Thermally Activated Delayed Fluorescence (TADF) Materials
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February 2021 |
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Polarizable continuum model: Polarizable continuum model
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January 2012 |
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Vibrationally Assisted Direct Intersystem Crossing between the Same Charge-Transfer States for Thermally Activated Delayed Fluorescence: Analysis by Marcus–Hush Theory Including Reorganization Energy
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March 2021 |
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Photoinduced charge transfer in Zn(II) and Au(III)-ligated symmetric and asymmetric bacteriochlorin dyads: A computational study
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October 2020 |
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Organic light-emitting-diode lighting overview
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Delayed fluorescence from inverted singlet and triplet excited states
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September 2022 |
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All-solution processed polymer light-emitting diode displays
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June 2013 |
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Excited state properties of non-doped thermally activated delayed fluorescence emitters with aggregation-induced emission: a QM/MM study
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January 2017 |
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Impact of Dielectric Constant on the Singlet–Triplet Gap in Thermally Activated Delayed Fluorescence Materials
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May 2017 |
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Triplet Harvesting with 100% Efficiency by Way of Thermally Activated Delayed Fluorescence in Charge Transfer OLED Emitters
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May 2013 |
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Local-Excitation versus Charge-Transfer Characters in the Triplet State: Theoretical Insight into the Singlet–Triplet Energy Differences of Carbazolyl-Phthalonitrile-Based Thermally Activated Delayed Fluorescence Materials
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December 2016 |
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Electron transfers in chemistry and biology
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Excitonic singlet-triplet ratio in a semiconducting organic thin film
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Quantitative Accuracy in Calculating Charge Transfer State Energies in Solvated Molecular Complexes Using a Screened Range Separated Hybrid Functional within a Polarized Continuum Model
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February 2020 |
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A New Molecular Design Based on Thermally Activated Delayed Fluorescence for Highly Efficient Organic Light Emitting Diodes
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January 2016 |
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A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states
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February 2009 |
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The Importance of Vibronic Coupling for Efficient Reverse Intersystem Crossing in Thermally Activated Delayed Fluorescence Molecules
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July 2016 |
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Challenges for the Accurate Simulation of Anisotropic Charge Mobilities through Organic Molecular Crystals: The β Phase of mer -Tris(8-hydroxyquinolinato)aluminum(III) (Alq3) Crystal
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July 2012 |
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All-organic thermally activated delayed fluorescence materials for organic light-emitting diodes
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April 2018 |
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Thermally Activated Delayed Fluorescence Properties of Trioxoazatriangulene Derivatives Modified with Electron Donating Groups
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March 2021 |
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Efficient and stable single-layer organic light-emitting diodes based on thermally activated delayed fluorescence
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July 2019 |
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Revealing resonance effects and intramolecular dipole interactions in the positional isomers of benzonitrile-core thermally activated delayed fluorescence materials
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January 2019 |
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Donor-to-Donor vs Donor-to-Acceptor Interfacial Charge Transfer States in the Phthalocyanine–Fullerene Organic Photovoltaic System
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Density Functional Theory with Correct Long-Range Asymptotic Behavior
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