Research graph
References from Beyond the Static Approximation: Assessing the Impact of Conformational and Kinetic Broadening on the Description of TADF Emitters. Local targets link to admitted publications; unresolved targets remain external evidence.
Highly efficient organic light-emitting diodes from delayed fluorescence
10.1038/nature11687 · 2012 · External reference
The Golden Age of Thermally Activated Delayed Fluorescence Materials: Design and Exploitation
10.1021/acs.chemrev.3c00755 · 2024 · External reference
Kinetic Modeling of Transient Photoluminescence from Thermally Activated Delayed Fluorescence
10.1021/acs.jpcc.8b11020 · 2018 · External reference
Laplace Transform Fitting as a Tool To Uncover Distributions of Reverse Intersystem Crossing Rates in TADF Systems
10.1021/acs.jpclett.2c01864 · 2022 · External reference
Understanding the temporal dynamics of thermally activated delayed fluorescence in solid hosts
10.1039/d3tc02347h · 2023 · External reference
Molecular Design Strategy of Organic Thermally Activated Delayed Fluorescence Emitters
10.1021/acs.chemmater.6b05324 · 2017 · External reference
Optimal Dihedral Angle in Twisted Donor-Acceptor Organic Emitters for Maximized Thermally Activated Delayed Fluorescence
10.1002/anie.202213463 · 2022 · External reference
Getting the Right Twist: Influence of Donor–Acceptor Dihedral Angle on Exciton Kinetics and Singlet–Triplet Gap in Deep Blue Thermally Activated Delayed Fluorescence Emitter
10.1021/acs.jpcc.9b08269 · 2019 · External reference
Dynamics of Vibrationally Coupled Intersystem Crossing in State-Of-The-Art Organic Optoelectronic Materials
10.1038/s42004-025-01485-3 · 2025 · External reference
Molecular Design of Deep Blue Thermally Activated Delayed Fluorescence Materials Employing a Homoconjugative Triptycene Scaffold and Dihedral Angle Tuning
10.1021/acs.chemmater.7b03490 · 2018 · External reference
Molecular Design Strategies for Color Tuning of Blue TADF Emitters
10.1021/acsami.9b06364 · 2019 · External reference
TADF mechanism in a carbene-copper emitter: Insights from the nuclear ensemble simulations
10.1021/acs.jpcc.4c03860 · 2024 · External reference
Temperature dependence of photoluminescence properties in a thermally activated delayed fluorescence emitter
10.1063/1.4878397 · 2014 · External reference
Solvent Effect on Thermally Activated Delayed Fluorescence by 1,2,3,5-Tetrakis(carbazol-9-yl)-4,6-dicyanobenzene
10.1021/jp404120s · 2013 · External reference
Impact of Chlorine on the Internal Transition Rates and Excited States of the Thermally Delayed Activated Fluorescence Molecule 3CzClIPN
10.1021/acs.jpcc.0c03341 · 2020 · External reference
Kinetic prediction of reverse intersystem crossing in organic donor–acceptor molecules
10.1038/s41467-020-17777-2 · 2020 · External reference
Electron transfer reactions in chemistry: theory and experiment
10.1002/anie.199311113 · 1993 · External reference
Charge-transfer and energy-transfer processes in π-conjugated oligomers and polymers: a molecular picture
10.1021/cr040084k · 2004 · External reference
Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence
10.1103/physrevmaterials.1.075602 · 2017 · External reference
Revealing the spin–vibronic coupling mechanism of thermally activated delayed fluorescence
10.1038/ncomms13680 · 2016 · External reference
The importance of vibronic coupling for efficient reverse intersystem crossing in thermally activated delayed fluorescence molecules
10.1002/cphc.201600662 · 2016 · External reference
Nonadiabatic Coupling Reduces the Activation Energy in Thermally Activated Delayed Fluorescence
10.1039/c7cp00719a · 2017 · External reference
Spin-vibronic mechanism for intersystem crossing
10.1021/acs.chemrev.7b00617 · 2018 · External reference
Understanding and controlling intersystem crossing in molecules
10.1146/annurev-physchem-061020-053433 · 2021 · External reference
Intersystem crossing processes in the 2CzPN emitter: a DFT/MRCI study including vibrational spin–orbit interactions
10.1039/d0cp06011a · 2021 · External reference
Extended theoretical modeling of reverse intersystem crossing for thermally activated delayed fluorescence materials
10.1126/sciadv.adk3219 · 2024 · External reference
Beyond the three-state picture: when higher-lying excited states become quantitatively indispensable
10.1039/d6sc01726f · 2026 · External reference
Spin–Vibronic Model for Quantitative Prediction of Reverse Intersystem Crossing Rate in Thermally Activated Delayed Fluorescence Systems
10.1021/acs.jctc.9b01014 · 2020 · External reference
Spin–Vibronic Control of Intersystem Crossing in Iodine-Substituted Heptamethine Cyanines
10.1021/acs.joc.3c00005 · 2023 · External reference
Balancing TADF Properties in π-Bridged Donor–Acceptor Systems by Sterical Constraints: The Best of Three Worlds
10.1021/acs.jpcc.4c03865 · 2024 · External reference
Photophysics of TADF Guest–Host Systems: Introducing the Idea of Hosting Potential
10.1021/acsaelm.0c00514 · 2020 · External reference
Matrix Dynamics and Their Crucial Role in Non-radiative Decay during Thermally Activated Delayed Fluorescence
10.1021/jacs.3c11719 · 2023 · External reference
An improved experimental determination of external photoluminescence quantum efficiency
10.1002/adma.19970090308 · 1997 · External reference
10.1201/9781420011371.ch15
10.1201/9781420011371.ch15 · 2006 · External reference
Exact Solution of Kinetic Analysis for Thermally Activated Delayed Fluorescence Materials
10.1021/acs.jpca.1c04056 · 2021 · External reference
Photophysics of thermally activated delayed fluorescence molecules
10.1088/2050-6120/aa537e · 2017 · External reference
Unresolved reference
External reference
GOAT: A Global Optimization Algorithm for Molecules and Atomic Clusters
10.1002/anie.202500393 · 2025 · External reference
The ORCA program system
10.1002/wcms.81 · 2012 · External reference
Software update: The ORCA program system–version 6.0
10.1002/wcms.70019 · 2025 · External reference
GFN2-xTB–An accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions
10.1021/acs.jctc.8b01176 · 2019 · External reference
Unresolved reference
External reference
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
10.1139/p80-159 · 1980 · External reference
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
10.1103/physrevb.37.785 · 1988 · External reference
Density-functional exchange-energy approximation with correct asymptotic behavior
10.1103/physreva.38.3098 · 1988 · External reference
Density-functional thermochemistry. III. The role of exact exchange
10.1063/1.464913 · 1993 · External reference
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
10.1021/j100096a001 · 1994 · External reference
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
10.1063/1.3382344 · 2010 · External reference
Self-Consistent Molecular-Orbital Methods.IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
10.1063/1.1674902 · 1971 · External reference
Self-Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian-Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
10.1063/1.1677527 · 1972 · External reference
The influence of polarization functions on molecular orbital hydrogenation energies
10.1007/bf00533485 · 1973 · External reference
Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements
10.1063/1.444267 · 1982 · External reference
Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements
10.1021/ja00374a017 · 1982 · External reference
Efficient diffuse function-augmented basis sets for anion calculations. III. The 3–21+G basis set for first-row elements, Li-F
10.1002/jcc.540040303 · 1983 · External reference
An evaluation of the performance of diffuse function-augmented basis sets for second row elements, Na-Cl
10.1002/jcc.540080807 · 1987 · External reference
Unlocking Spin Dynamics: Spin-Orbit Coupling Driven Spin State Interconversion in Carbazole-Containing TADF Emitters
10.1002/adom.202501504 · 2026 · External reference
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
10.1039/b508541a · 2005 · External reference
Property-optimized Gaussian basis sets for molecular response calculations
10.1063/1.3484283 · 2010 · External reference
Long-Range Corrected Hybrid Density Functionals With Improved Dispersion Corrections
10.1021/ct300715s · 2013 · External reference
Reliable prediction of charge transfer excitations in molecular complexes using time-dependent density functional theory
10.1021/ja8087482 · 2009 · External reference
On the geometry dependence of tuned-range separated hybrid functionals
10.1002/jcc.25868 · 2019 · External reference
Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den einzelnen Elektronen eines Atoms
10.1016/s0031-8914(34)90011-2 · 1934 · External reference
An algorithm with guaranteed convergence for finding a zero of a function
10.1093/comjnl/14.4.422 · 1971 · External reference
On the theoretical prediction of fluorescence rates from first principles using the path integral approach
10.1063/1.5010895 · 2018 · External reference
Predicting phosphorescence rates of light organic molecules using time-dependent density functional theory and the path integral approach to dynamics
10.1021/acs.jctc.8b00841 · 2019 · External reference
10.1007/978-3-642-41163-2
10.1007/978-3-642-41163-2 · 2012 · External reference
Unified framework for photophysical rate calculations in tadf molecules
10.1021/acs.jctc.1c00476 · 2021 · External reference
Nonadiabatic dynamics: The SHARC approach
10.1002/wcms.1370 · 2018 · External reference
Unresolved reference
External reference
Unresolved reference
1965 · External reference
TheoDORE: A Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations
10.1063/1.5143076 · 2020 · External reference
Graph-Based Internal Coordinate Analysis for Transition State Characterization
10.1021/acs.jctc.5c02073 · 2026 · External reference
A Toolbox Approach To Construct Broadly Applicable Metal-Free Catalysts for Photoredox Chemistry: Deliberate Tuning of Redox Potentials and Importance of Halogens in Donor–Acceptor Cyanoarenes
10.1021/jacs.8b08933 · 2018 · External reference
C Terminal Bioconjugation of Peptides through Photoredox Catalyzed Decarboxylative Alkynylation
10.1002/anie.201901922 · 2019 · External reference
Electrochemical Activation of Diverse Conventional Photoredox Catalysts Induces Potent Photoreductant Activity**
10.1002/anie.202107169 · 2021 · External reference
Solvent-dependent investigation of carbazole benzonitrile derivatives: does the LE3–CT1 energy gap facilitate thermally activated delayed fluorescence?
10.1117/1.jpe.8.032102 · 2018 · External reference
Impact of secondary donor units on the excited-state properties and thermally activated delayed fluorescence (TADF) efficiency of pentacarbazole-benzonitrile emitters
10.1063/5.0028227 · 2020 · External reference
Enhancing the efficiency and stability of blue thermally activated delayed fluorescence emitters by perdeuteration
10.1038/s41566-024-01379-1 · 2024 · External reference
Excited state engineering for efficient reverse intersystem crossing
10.1126/sciadv.aao6910 · 2018 · External reference
Enhancing triplet harvesting in inverted singlet–triplet gap molecules through mechanistic understanding
10.1039/d5tc01155h · 2025 · External reference
Confining donor conformation distributions for efficient thermally activated delayed fluorescence with fast spin-flipping
10.1038/s41467-023-38197-y · 2023 · External reference
Extracting Design Principles for Efficient Thermally Activated Delayed Fluorescence (TADF) from a Simple Four-State Model
10.1021/acs.chemmater.9b01601 · 2019 · External reference
The importance of high-frequency modes in the prediction of RISC rates for TADF molecules
10.1021/acs.jpclett.5c00176 · 2025 · External reference
Theoretical studies on the excited-state properties of thermally activated delayed fluorescence molecules with aggregation induced emission
10.1039/d2tc01342h · 2022 · External reference
Thermal equilibration between singlet and triplet excited states in organic fluorophore for submicrosecond delayed fluorescence
10.1126/sciadv.abe5769 · 2021 · External reference
Either accurate singlet–triplet gaps or excited-state structures: testing and understanding the performance of TD-DFT for TADF emitters
10.1021/acs.jctc.2c00905 · 2022 · External reference
Mind the gaps: what the STGABS27 set can teach about second-order excited state methods, solvent models, and charge transfer
10.1039/d5cp02144h · 2025 · External reference
Theory of excited state decays and optical spectra: application to polyatomic molecules
10.1021/jp101568f · 2010 · External reference
Newton–Raphson and EM algorithms for linear mixed-effects models for repeated-measures data
10.1080/01621459.1988.10478693 · 1988 · External reference
The vibrational progressions of the N→ V electronic transition of ethylene: A test case for the computation of Franck-Condon factors of highly flexible photoexcited molecules
10.1063/1.2388269 · 2006 · External reference
The electron photodetachment spectrum of c-C4F8-: A test case for the computation of Franck-Condon factors of highly flexible molecules
10.1063/1.2819061 · 2008 · External reference
Harmonic models in cartesian and internal coordinates to simulate the absorption spectra of carotenoids at finite temperatures
10.1021/ct4005849 · 2013 · External reference
General formulation of vibronic spectroscopy in internal coordinates
10.1063/1.4942165 · 2016 · External reference
The energy gap law for radiationless transitions in large molecules
10.1080/00268977000100171 · 1970 · External reference
Conformational Control of Donor–Acceptor Molecules Using Non-Covalent Interactions
10.1021/acs.jpca.4c03711 · 2024 · External reference
An improved experimental determination of external photoluminescence quantum efficiency
10.1002/adma.19970090308 · ExternalCitation · doi-reference
Unlocking Spin Dynamics: Spin-Orbit Coupling Driven Spin State Interconversion in Carbazole-Containing TADF Emitters
10.1002/adom.202501504 · ExternalCitation · doi-reference
Electron transfer reactions in chemistry: theory and experiment
10.1002/anie.199311113 · ExternalCitation · doi-reference
C Terminal Bioconjugation of Peptides through Photoredox Catalyzed Decarboxylative Alkynylation
10.1002/anie.201901922 · ExternalCitation · doi-reference
Electrochemical Activation of Diverse Conventional Photoredox Catalysts Induces Potent Photoreductant Activity**
10.1002/anie.202107169 · ExternalCitation · doi-reference
Optimal Dihedral Angle in Twisted Donor-Acceptor Organic Emitters for Maximized Thermally Activated Delayed Fluorescence
10.1002/anie.202213463 · ExternalCitation · doi-reference
GOAT: A Global Optimization Algorithm for Molecules and Atomic Clusters
10.1002/anie.202500393 · ExternalCitation · doi-reference
The importance of vibronic coupling for efficient reverse intersystem crossing in thermally activated delayed fluorescence molecules
10.1002/cphc.201600662 · ExternalCitation · doi-reference
On the geometry dependence of tuned-range separated hybrid functionals
10.1002/jcc.25868 · ExternalCitation · doi-reference
Efficient diffuse function-augmented basis sets for anion calculations. III. The 3–21+G basis set for first-row elements, Li-F
10.1002/jcc.540040303 · ExternalCitation · doi-reference
An evaluation of the performance of diffuse function-augmented basis sets for second row elements, Na-Cl
10.1002/jcc.540080807 · ExternalCitation · doi-reference
Nonadiabatic dynamics: The SHARC approach
10.1002/wcms.1370 · ExternalCitation · doi-reference
Software update: The ORCA program system–version 6.0
10.1002/wcms.70019 · ExternalCitation · doi-reference
The ORCA program system
10.1002/wcms.81 · ExternalCitation · doi-reference
10.1007/978-3-642-41163-2
10.1007/978-3-642-41163-2 · ExternalCitation · doi-reference
The influence of polarization functions on molecular orbital hydrogenation energies
10.1007/bf00533485 · ExternalCitation · doi-reference
Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den einzelnen Elektronen eines Atoms
10.1016/s0031-8914(34)90011-2 · ExternalCitation · doi-reference
Molecular Design Strategy of Organic Thermally Activated Delayed Fluorescence Emitters
10.1021/acs.chemmater.6b05324 · ExternalCitation · doi-reference
Molecular Design of Deep Blue Thermally Activated Delayed Fluorescence Materials Employing a Homoconjugative Triptycene Scaffold and Dihedral Angle Tuning
10.1021/acs.chemmater.7b03490 · ExternalCitation · doi-reference
Extracting Design Principles for Efficient Thermally Activated Delayed Fluorescence (TADF) from a Simple Four-State Model
10.1021/acs.chemmater.9b01601 · ExternalCitation · doi-reference
The Golden Age of Thermally Activated Delayed Fluorescence Materials: Design and Exploitation
10.1021/acs.chemrev.3c00755 · ExternalCitation · doi-reference
Spin-vibronic mechanism for intersystem crossing
10.1021/acs.chemrev.7b00617 · ExternalCitation · doi-reference
Unified framework for photophysical rate calculations in tadf molecules
10.1021/acs.jctc.1c00476 · ExternalCitation · doi-reference
Either accurate singlet–triplet gaps or excited-state structures: testing and understanding the performance of TD-DFT for TADF emitters
10.1021/acs.jctc.2c00905 · ExternalCitation · doi-reference
Graph-Based Internal Coordinate Analysis for Transition State Characterization
10.1021/acs.jctc.5c02073 · ExternalCitation · doi-reference
Predicting phosphorescence rates of light organic molecules using time-dependent density functional theory and the path integral approach to dynamics
10.1021/acs.jctc.8b00841 · ExternalCitation · doi-reference
GFN2-xTB–An accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions
10.1021/acs.jctc.8b01176 · ExternalCitation · doi-reference
Spin–Vibronic Model for Quantitative Prediction of Reverse Intersystem Crossing Rate in Thermally Activated Delayed Fluorescence Systems
10.1021/acs.jctc.9b01014 · ExternalCitation · doi-reference
Spin–Vibronic Control of Intersystem Crossing in Iodine-Substituted Heptamethine Cyanines
10.1021/acs.joc.3c00005 · ExternalCitation · doi-reference
Exact Solution of Kinetic Analysis for Thermally Activated Delayed Fluorescence Materials
10.1021/acs.jpca.1c04056 · ExternalCitation · doi-reference
Conformational Control of Donor–Acceptor Molecules Using Non-Covalent Interactions
10.1021/acs.jpca.4c03711 · ExternalCitation · doi-reference
Impact of Chlorine on the Internal Transition Rates and Excited States of the Thermally Delayed Activated Fluorescence Molecule 3CzClIPN
10.1021/acs.jpcc.0c03341 · ExternalCitation · doi-reference
TADF mechanism in a carbene-copper emitter: Insights from the nuclear ensemble simulations
10.1021/acs.jpcc.4c03860 · ExternalCitation · doi-reference
Balancing TADF Properties in π-Bridged Donor–Acceptor Systems by Sterical Constraints: The Best of Three Worlds
10.1021/acs.jpcc.4c03865 · ExternalCitation · doi-reference
Kinetic Modeling of Transient Photoluminescence from Thermally Activated Delayed Fluorescence
10.1021/acs.jpcc.8b11020 · ExternalCitation · doi-reference
Getting the Right Twist: Influence of Donor–Acceptor Dihedral Angle on Exciton Kinetics and Singlet–Triplet Gap in Deep Blue Thermally Activated Delayed Fluorescence Emitter
10.1021/acs.jpcc.9b08269 · ExternalCitation · doi-reference
Laplace Transform Fitting as a Tool To Uncover Distributions of Reverse Intersystem Crossing Rates in TADF Systems
10.1021/acs.jpclett.2c01864 · ExternalCitation · doi-reference
The importance of high-frequency modes in the prediction of RISC rates for TADF molecules
10.1021/acs.jpclett.5c00176 · ExternalCitation · doi-reference
Photophysics of TADF Guest–Host Systems: Introducing the Idea of Hosting Potential
10.1021/acsaelm.0c00514 · ExternalCitation · doi-reference
Molecular Design Strategies for Color Tuning of Blue TADF Emitters
10.1021/acsami.9b06364 · ExternalCitation · doi-reference
Charge-transfer and energy-transfer processes in π-conjugated oligomers and polymers: a molecular picture
10.1021/cr040084k · ExternalCitation · doi-reference
Long-Range Corrected Hybrid Density Functionals With Improved Dispersion Corrections
10.1021/ct300715s · ExternalCitation · doi-reference
Harmonic models in cartesian and internal coordinates to simulate the absorption spectra of carotenoids at finite temperatures
10.1021/ct4005849 · ExternalCitation · doi-reference
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
10.1021/j100096a001 · ExternalCitation · doi-reference
Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements
10.1021/ja00374a017 · ExternalCitation · doi-reference
Reliable prediction of charge transfer excitations in molecular complexes using time-dependent density functional theory
10.1021/ja8087482 · ExternalCitation · doi-reference
Matrix Dynamics and Their Crucial Role in Non-radiative Decay during Thermally Activated Delayed Fluorescence
10.1021/jacs.3c11719 · ExternalCitation · doi-reference
A Toolbox Approach To Construct Broadly Applicable Metal-Free Catalysts for Photoredox Chemistry: Deliberate Tuning of Redox Potentials and Importance of Halogens in Donor–Acceptor Cyanoarenes
10.1021/jacs.8b08933 · ExternalCitation · doi-reference
Theory of excited state decays and optical spectra: application to polyatomic molecules
10.1021/jp101568f · ExternalCitation · doi-reference
Solvent Effect on Thermally Activated Delayed Fluorescence by 1,2,3,5-Tetrakis(carbazol-9-yl)-4,6-dicyanobenzene
10.1021/jp404120s · ExternalCitation · doi-reference
Highly efficient organic light-emitting diodes from delayed fluorescence
10.1038/nature11687 · ExternalCitation · doi-reference
Revealing the spin–vibronic coupling mechanism of thermally activated delayed fluorescence
10.1038/ncomms13680 · ExternalCitation · doi-reference
Kinetic prediction of reverse intersystem crossing in organic donor–acceptor molecules
10.1038/s41467-020-17777-2 · ExternalCitation · doi-reference
Confining donor conformation distributions for efficient thermally activated delayed fluorescence with fast spin-flipping
10.1038/s41467-023-38197-y · ExternalCitation · doi-reference
Enhancing the efficiency and stability of blue thermally activated delayed fluorescence emitters by perdeuteration
10.1038/s41566-024-01379-1 · ExternalCitation · doi-reference
Dynamics of Vibrationally Coupled Intersystem Crossing in State-Of-The-Art Organic Optoelectronic Materials
10.1038/s42004-025-01485-3 · ExternalCitation · doi-reference
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
10.1039/b508541a · ExternalCitation · doi-reference
Nonadiabatic Coupling Reduces the Activation Energy in Thermally Activated Delayed Fluorescence
10.1039/c7cp00719a · ExternalCitation · doi-reference
Intersystem crossing processes in the 2CzPN emitter: a DFT/MRCI study including vibrational spin–orbit interactions
10.1039/d0cp06011a · ExternalCitation · doi-reference
Theoretical studies on the excited-state properties of thermally activated delayed fluorescence molecules with aggregation induced emission
10.1039/d2tc01342h · ExternalCitation · doi-reference
Understanding the temporal dynamics of thermally activated delayed fluorescence in solid hosts
10.1039/d3tc02347h · ExternalCitation · doi-reference
Mind the gaps: what the STGABS27 set can teach about second-order excited state methods, solvent models, and charge transfer
10.1039/d5cp02144h · ExternalCitation · doi-reference
Enhancing triplet harvesting in inverted singlet–triplet gap molecules through mechanistic understanding
10.1039/d5tc01155h · ExternalCitation · doi-reference
Beyond the three-state picture: when higher-lying excited states become quantitatively indispensable
10.1039/d6sc01726f · ExternalCitation · doi-reference
Self-Consistent Molecular-Orbital Methods.IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
10.1063/1.1674902 · ExternalCitation · doi-reference
Self-Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian-Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
10.1063/1.1677527 · ExternalCitation · doi-reference
The vibrational progressions of the N→ V electronic transition of ethylene: A test case for the computation of Franck-Condon factors of highly flexible photoexcited molecules
10.1063/1.2388269 · ExternalCitation · doi-reference
The electron photodetachment spectrum of c-C4F8-: A test case for the computation of Franck-Condon factors of highly flexible molecules
10.1063/1.2819061 · ExternalCitation · doi-reference
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
10.1063/1.3382344 · ExternalCitation · doi-reference
Property-optimized Gaussian basis sets for molecular response calculations
10.1063/1.3484283 · ExternalCitation · doi-reference
Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements
10.1063/1.444267 · ExternalCitation · doi-reference
Density-functional thermochemistry. III. The role of exact exchange
10.1063/1.464913 · ExternalCitation · doi-reference
Temperature dependence of photoluminescence properties in a thermally activated delayed fluorescence emitter
10.1063/1.4878397 · ExternalCitation · doi-reference
General formulation of vibronic spectroscopy in internal coordinates
10.1063/1.4942165 · ExternalCitation · doi-reference
On the theoretical prediction of fluorescence rates from first principles using the path integral approach
10.1063/1.5010895 · ExternalCitation · doi-reference
TheoDORE: A Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations
10.1063/1.5143076 · ExternalCitation · doi-reference
Impact of secondary donor units on the excited-state properties and thermally activated delayed fluorescence (TADF) efficiency of pentacarbazole-benzonitrile emitters
10.1063/5.0028227 · ExternalCitation · doi-reference
The energy gap law for radiationless transitions in large molecules
10.1080/00268977000100171 · ExternalCitation · doi-reference
Newton–Raphson and EM algorithms for linear mixed-effects models for repeated-measures data
10.1080/01621459.1988.10478693 · ExternalCitation · doi-reference
Photophysics of thermally activated delayed fluorescence molecules
10.1088/2050-6120/aa537e · ExternalCitation · doi-reference
An algorithm with guaranteed convergence for finding a zero of a function
10.1093/comjnl/14.4.422 · ExternalCitation · doi-reference
Density-functional exchange-energy approximation with correct asymptotic behavior
10.1103/physreva.38.3098 · ExternalCitation · doi-reference
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
10.1103/physrevb.37.785 · ExternalCitation · doi-reference
Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence
10.1103/physrevmaterials.1.075602 · ExternalCitation · doi-reference
Solvent-dependent investigation of carbazole benzonitrile derivatives: does the LE3–CT1 energy gap facilitate thermally activated delayed fluorescence?
10.1117/1.jpe.8.032102 · ExternalCitation · doi-reference
Excited state engineering for efficient reverse intersystem crossing
10.1126/sciadv.aao6910 · ExternalCitation · doi-reference
Thermal equilibration between singlet and triplet excited states in organic fluorophore for submicrosecond delayed fluorescence
10.1126/sciadv.abe5769 · ExternalCitation · doi-reference
Extended theoretical modeling of reverse intersystem crossing for thermally activated delayed fluorescence materials
10.1126/sciadv.adk3219 · ExternalCitation · doi-reference
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
10.1139/p80-159 · ExternalCitation · doi-reference
Understanding and controlling intersystem crossing in molecules
10.1146/annurev-physchem-061020-053433 · ExternalCitation · doi-reference
10.1201/9781420011371.ch15
10.1201/9781420011371.ch15 · ExternalCitation · doi-reference
