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Influence of Triplet Instabilities in TDDFT
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Outgoing claims: the papers this work cites, builds on, or argues with.
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�ber die Zahl der Dispersionselektronen, die einem station�ren Zustand zugeordnet sind
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Über die Zahl der Dispersionselektronen, die einem stationären Zustande zugeordnet sind. (Vorläufige Mitteilung)
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Density functional calculations with configuration interaction for the excited states of molecules
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Time-dependent density functional theory within the Tamm–Dancoff approximation
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Note on Exchange Phenomena in the Thomas Atom
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Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
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Assessment of Functionals for TD-DFT Calculations of Singlet−Triplet Transitions
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Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v -representability problem
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Basis set effects on coupled cluster benchmarks of electronically excited states: CC3, CCSDR(3) and CC2
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Spin–spin coupling constants and triplet instabilities in Kohn–Sham theory
inferredcites →https://doi.org/10.1080/00268976.2010.523442openalex-snapshot
Challenges with range-separated exchange-correlation functionals in time-dependent density functional theory calculations
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Coulomb-attenuated exchange energy density functionals
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XXXIV. Notes on the molecular orbital treatment of the hydrogen molecule
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Self-Consistent Equations Including Exchange and Correlation Effects
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Non-Adiabatic Meson Theory of Nuclear Forces
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A Simplification of the Hartree-Fock Method
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Density-functional exchange-energy approximation with correct asymptotic behavior
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Time-Dependent Density Functional Response Theory for Molecules
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Dispersion-Corrected Mean-Field Electronic Structure Methods
inferred← citeshttps://doi.org/10.1021/acs.chemrev.5b00700openalex-snapshot
Quantum Chemical Studies of Light Harvesting
inferred← citeshttps://doi.org/10.1021/acs.chemrev.9b00798openalex-snapshot
Multicomponent Quantum Chemistry: Integrating Electronic and Nuclear Quantum Effects via the Nuclear–Electronic Orbital Method
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.0c00961openalex-snapshot
Synthesis, Photophysics, and Reverse Saturable Absorption of trans-Bis-cyclometalated Iridium(III) Complexes (C^N^C)Ir(R-tpy)+ (tpy = 2,2′:6′,2″-Terpyridine) with Broadband Excited-State Absorption
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.1c02562openalex-snapshot
Computational Protocol to Calculate the Phosphorescence Energy of Pt(II) Complexes: Is the Lowest Triplet Excited State Always Involved in Emission? A Comprehensive Benchmark Study
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.3c03216openalex-snapshot
Ru(II) Phenanthroline-Based Oligothienyl Complexes as Phototherapy Agents
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.3c04382openalex-snapshot
Ru(II) Oligothienyl Complexes with Fluorinated Ligands: Photophysical, Electrochemical, and Photobiological Properties
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.5c00761openalex-snapshot
Tetrahedral Cu(I) Complexes for Thermally Activated Delayed Fluorescence: A Density Functional Benchmark Study with QM/MM Models
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.7b01516openalex-snapshot
Achieving High Performances of Nondoped OLEDs Using Carbazole and Diphenylphosphoryl-Functionalized Ir(III) Complexes as Active Components
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.9b00334openalex-snapshot
Computer-Aided Design of Luminescent Linear N-Heterocyclic Carbene Copper(I) Pyridine Complexes
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.9b01002openalex-snapshot
Photophysical Exploration of Dual-Approach PtII–BODIPY Conjugates: Theoretical Insights
inferred← citeshttps://doi.org/10.1021/acs.jctc.0c00086openalex-snapshot
Screened Range-Separated Hybrid Functional with Polarizable Continuum Model Overcomes Challenges in Describing Triplet Excitations in the Condensed Phase Using TDDFT
inferred← citeshttps://doi.org/10.1021/acs.jctc.0c00520openalex-snapshot
Validation of Local Hybrid Functionals for Excited States: Structures, Fluorescence, Phosphorescence, and Vibronic Spectra
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00226openalex-snapshot
Reference Energies for Intramolecular Charge-Transfer Excitations
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00476openalex-snapshot
Unified Framework for Photophysical Rate Calculations in TADF Molecules
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00160openalex-snapshot
Revisiting the Performance of Time-Dependent Density Functional Theory for Electronic Excitations: Assessment of 43 Popular and Recently Developed Functionals from Rungs One to Four
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00888openalex-snapshot
Interexcited State Photophysics I: Benchmarking Density Functionals for Computing Nonadiabatic Couplings and Internal Conversion Rate Constants
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c00905openalex-snapshot
Either Accurate Singlet–Triplet Gaps or Excited-State Structures: Testing and Understanding the Performance of TD-DFT for TADF Emitters
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00185openalex-snapshot
A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00812openalex-snapshot
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00931openalex-snapshot
Modeling the Fluorescence Quantum Yields of Aromatic Compounds: Benchmarking the Machinery to Compute Intersystem Crossing Rates
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c01341openalex-snapshot
Evaluating the Impact of the Tamm–Dancoff Approximation on X-ray Spectrum Calculations
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c00100openalex-snapshot
Going Beyond the GW Approximation Using the Time-Dependent Hartree–Fock Vertex
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c00906openalex-snapshot
Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/ GW , and Wave Function Methods
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01104openalex-snapshot
Interexcited State Photophysics II: A Qualitative Excited State Dynamics Model from First-Principles
inferred← citeshttps://doi.org/10.1021/acs.jctc.5b00335openalex-snapshot
Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited
inferred← citeshttps://doi.org/10.1021/acs.jctc.5b00431openalex-snapshot
Reliable Prediction with Tuned Range-Separated Functionals of the Singlet–Triplet Gap in Organic Emitters for Thermally Activated Delayed Fluorescence
inferred← citeshttps://doi.org/10.1021/acs.jctc.5b01070openalex-snapshot
How Bond Length Alternation and Thermal Disorder Affect the Optical Excitation Energies of π-Conjugated Chains: A Combined Density Functional Theory and Molecular Dynamics Study
inferred← citeshttps://doi.org/10.1021/acs.jctc.5b01219openalex-snapshot
Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c01234openalex-snapshot
Energy Decomposition Analysis of Excited States Based on Time-Dependent Density Functional Theory Calculations Employing a Dielectric-Screened Range-Separated Hybrid Functional
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c01411openalex-snapshot
A Benchmark Database for Spin-Flip Gap Calculations in Single- and Multireference Systems Using ΔDFT and Beyond
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00030openalex-snapshot
Four-Component Damped Density Functional Response Theory Study of UV/Vis Absorption Spectra and Phosphorescence Parameters of Group 12 Metal-Substituted Porphyrins
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00245openalex-snapshot
Low-Lying ππ* States of Heteroaromatic Molecules: A Challenge for Excited State Methods
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00935openalex-snapshot
Intermolecular Singlet and Triplet Exciton Transfer Integrals from Many-Body Green’s Functions Theory
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b01122openalex-snapshot
Assessment of Interstate Spin–Orbit Couplings from Linear Response Amplitudes
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b01169openalex-snapshot
Benchmark of Bethe-Salpeter for Triplet Excited-States
inferred← citeshttps://doi.org/10.1021/acs.jctc.6c01488openalex-snapshot
Mechanical Tuning of Singlet–Triplet Resonance for Efficient Triplet–Triplet Annihilation Upconversion
inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00379openalex-snapshot
Assessing Excited State Energy Gaps with Time-Dependent Density Functional Theory on Ru(II) Complexes
inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00823openalex-snapshot
Optical Gaps in Pristine and Heavily Doped Silicon Nanocrystals: DFT versus Quantum Monte Carlo Benchmarks
inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00857openalex-snapshot
Extended Lagrangian Excited State Molecular Dynamics
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00153openalex-snapshot
Accurate Treatment of Charge-Transfer Excitations and Thermally Activated Delayed Fluorescence Using the Particle–Particle Random Phase Approximation
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00707openalex-snapshot
Tuned Range-Separated Density Functional Theory and Dyson Orbital Formalism for Photoelectron Spectra
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00841openalex-snapshot
Predicting Phosphorescence Rates of Light Organic Molecules Using Time-Dependent Density Functional Theory and the Path Integral Approach to Dynamics
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00853openalex-snapshot
Triplet Tuning: A Novel Family of Non-Empirical Exchange–Correlation Functionals
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c00191openalex-snapshot
Newly Designed Quasi-intrinsic Photosensitizers for Fluorescence Image-Guided Two-Photon Photodynamic Therapy with Type I/II Photoreactions
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c02213openalex-snapshot
Designing Quasi-Intrinsic Photosensitizers with Dual Function of Fluorescence Imaging and Photodynamic Therapy
inferred← citeshttps://doi.org/10.1021/acs.joc.3c00005openalex-snapshot
Spin–Vibronic Control of Intersystem Crossing in Iodine-Substituted Heptamethine Cyanines
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c06814openalex-snapshot
Intrastrand Photolesion Formation in Thio-Substituted DNA: A Case Study Including Single-Reference and Multireference Methods
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c09439openalex-snapshot
Effect of Perturbative Vibronic Correction for Weak Fluorescence in Thermally Activated Delayed Fluorescence Systems
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c11322openalex-snapshot
TD-DFT and Experimental Methods for Unraveling the Energy Distribution of Charge-Transfer Triplet/Singlet States of a TADF Molecule in a Frozen Matrix
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c03729openalex-snapshot
Intersystem Crossing in Boron-Based Donor–Spiro–Acceptor Organic Chromophore: A Detailed Theoretical Study
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c05101openalex-snapshot
Reliable TDDFT Protocol Based on a Local Hybrid Functional for the Prediction of Vibronic Phosphorescence Spectra Applied to Tris(2,2′-bipyridine)-Metal Complexes
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c08900openalex-snapshot
Simulation of Low-Lying Singlet and Triplet Excited States of Multiple-Resonance-Type Thermally Activated Delayed Fluorescence Emitters by Delta Self-Consistent Field (ΔSCF) Method
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c01463openalex-snapshot
Excited-State Properties of Some Thermally Activated Delayed Fluorescence Emitters: Quest for an Accurate and Reliable Computational Method
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c03455openalex-snapshot
Origins of Molecular-Twist-Triggered Intersystem Crossing in Functional Perylenediimides: Singlet–Triplet Gap versus Spin–Orbit Coupling
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c06339openalex-snapshot
Design and Mechanism of Rare-Earth Singlet Oxygen Sensing: An Experimental and Quantum Chemical Approach
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c08445openalex-snapshot
A First-Principles Investigation of Structure-Luminescence Activity of Donor–Acceptor–Donor Organic Triad
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c08937openalex-snapshot
Assessing Intersystem Crossing Rates in Donor- and/Acceptor-Functionalized Corroles: A Computational Study
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c09106openalex-snapshot
Electronic Structures and Charge Mobilities of Several Regioisomeric B2N2-Substituted Perylenediimides
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c01344openalex-snapshot
Solvent Effect on the Photoinduced Intramolecular Charge–Transfer and Redox Potentials of Three Difuranones
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c03533openalex-snapshot
Photophysics of Solvated Molecules: Computational Protocol Combining Nuclear Ensemble and Nonequilibrium State-Specific Solvation Methods
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c04205openalex-snapshot
Phosphorescent Properties of Heteroleptic Ir(III) Complexes: Uncovering Their Emissive Species
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c05563openalex-snapshot
Does the Intersystem Crossing Rate of β-Iodinated Phosphorus Corrole Depend on Iodine Numbers and/or Positions?
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c08146openalex-snapshot
Using Adiabatic Energy Splitting To Compute Dexter Energy Transfer Couplings
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c00744openalex-snapshot
Spin-Restricted Descriptions of Singlet Oxygen Reactions from XMS-CASPT2 Benchmarks
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c02503openalex-snapshot
On the Topological Phase around Conical Intersections with Tamm–Dancoff Linear-Response Time-Dependent Density Functional Theory
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c02852openalex-snapshot
Chemically Accurate Singlet–Triplet Gaps of Arylcarbenes from Local Hybrid Density Functionals
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c05420openalex-snapshot
Heavy Atom at Bay of Perylene Significantly Improves Intersystem Crossing
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c08704openalex-snapshot
Influence of Spin-Dependent Polaron Pair Charge Recombination Rates on Singlet Exciton Yields of Fluorescent Organic Light-Emitting Diode Materials
inferred← citeshttps://doi.org/10.1021/acs.jpca.5b01680openalex-snapshot
Electronic Circular Dichroism of Highly Conjugated π-Systems: Breakdown of the Tamm–Dancoff/Configuration Interaction Singles Approximation
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c01146openalex-snapshot
Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c05378openalex-snapshot
Effect of Perturbative Vibronic Correction for Spin–Orbit Coupling in Hot Exciton OLED Systems
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c08070openalex-snapshot
Effects of Naphthalene-to-Azulene Isoelectronic Structural Reconstruction on Electronic and Optical Properties of Perylenediimide and Its Chalcogenides
inferred← citeshttps://doi.org/10.1021/acs.jpca.6c03270openalex-snapshot
Assignment of the Triplet-to-Triplet Absorption Spectrum of Pyrene
inferred← citeshttps://doi.org/10.1021/acs.jpca.6c03293openalex-snapshot
Engineering Intersystem Crossing in π-Conjugated Molecules through Heavy-Atom Effects: Computational Design Insights
inferred← citeshttps://doi.org/10.1021/acs.jpca.6c03338openalex-snapshot
Computational Design of B, N Codoped Corannulenes: Insights into Structural Stability, Bowl-Inversion Barrier, and Electronic Characteristics
inferred← citeshttps://doi.org/10.1021/acs.jpca.6c03644openalex-snapshot
Low-Lying ππ* Excited States in Five-Membered Ring Heterocycles: A Continuing Challenge
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b05222openalex-snapshot
Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b09642openalex-snapshot
Excited-State Vibrational Frequencies: Restricted Virtual Space Time-Dependent Density Functional Theory
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b04573openalex-snapshot
Effects of Intra- and Intermolecular Hydrogen Bonding on O–H Bond Photodissociation Pathways of a Catechol Derivative
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b05534openalex-snapshot
Structural Effects on the Norrish Type I α-Bond Cleavage of Tropospherically Important Carbonyls
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b11375openalex-snapshot
Structure–Photochemical Function Relationships in Nitrogen-Containing Heterocyclic Aromatic Photobases Derived from Quinoline
inferred← citeshttps://doi.org/10.1021/acs.jpcb.2c03489openalex-snapshot
Thiolumazines as Heavy-Atom-Free Photosensitizers for Applications in Daylight Photodynamic Therapy: Insights from Ultrafast Excited-State Dynamics
inferred← citeshttps://doi.org/10.1021/acs.jpcb.3c02723openalex-snapshot
Observation of Long-Lived Charge-Separated States in Anthraquinone–Phenothiazine Electron Donor–Acceptor Dyads: Transient Optical and Electron Paramagnetic Resonance Spectroscopic Studies
inferred← citeshttps://doi.org/10.1021/acs.jpcb.3c05688openalex-snapshot
Molecular-Scale Design of Azulene-Based Triplet Photosensitizers: Insights from Time-Dependent Optimally Tuned Range-Separated Hybrid
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5c01117openalex-snapshot
On the Photosensitizing Properties of Aloe-Emodin in Photodynamic Therapy: Insights from the Molecular Modeling
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5c01826openalex-snapshot
Triplet–Triplet Annihilation Upconversion Is Impeded in Liposomes that Prevent Sensitizer and Annihilator Co-Confinement
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5c07987openalex-snapshot
New Insights into Intersystem Crossing in Substituted Aromatics: Singlet–Triplet Conversion in Carbonyl-Substituted Anthracenes
inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c01290openalex-snapshot
Triplet Harvesting Using Two-Photon Absorption in Substituted Naphthalimides for Their Application as Heavy-Atom-Free Photosensitizers
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c06448openalex-snapshot
Singlet and Triplet Excited-State Dynamics of a Nonfullerene Electron Acceptor Y6
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c08191openalex-snapshot
Exhaust Gases as Fluxing Agents for Palladium: Formation Enthalpies and Vapor Pressures of PdO, PdO2, Pd(CO)n (n = 1–3), Pd(NO)n (n = 1,2), Pd(OH)n (n = 1,2), HOPdNO, and 21 Other Species under Automotive Catalyst Aging Conditions
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c02033openalex-snapshot
Key Role of Electronic and Structural Properties in Regulating Intersystem Crossing: An In-Depth Investigation on Naphthalene-Diimide Triads for Thermally Activated Delayed Fluorescence Applications
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c03860openalex-snapshot
TADF Mechanism in a Carbene-Copper Emitter: Insights from the Nuclear Ensemble Simulations
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c04178openalex-snapshot
Accurate Singlet–Triplet Excited States Energy Gap Can Be Mastered by Time-Dependent Density Functional Theory Calculations Based on a Dielectric-Screened Range-Separated Hybrid Functional
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b03530openalex-snapshot
On Predicting the Excited-State Properties of Thermally Activated Delayed Fluorescence Emitters
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b12027openalex-snapshot
Phosphorescence in Bromobenzaldehyde Can Be Enhanced through Intramolecular Heavy Atom Effect
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b10560openalex-snapshot
Prediction of Intramolecular Charge-Transfer Excitation for Thermally Activated Delayed Fluorescence Molecules from a Descriptor-Tuned Density Functional
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b04824openalex-snapshot
Photophysical Properties of Novel Two-Photon Absorbing Dyes: Assessing Their Possible Use for Singlet Oxygen Generation
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b05411openalex-snapshot
Effective Impact of Dielectric Constant on Thermally Activated Delayed Fluorescence and Nonlinear Optical Properties: Through-Bond/-Space Charge Transfer Architectures
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b06533openalex-snapshot
Fluorescence, Phosphorescence, or Delayed Fluorescence?—A Theoretical Exploration on the Reason Why a Series of Similar Organic Molecules Exhibit Different Luminescence Types
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b08228openalex-snapshot
Understanding Solid-State Solvation-Enhanced Thermally Activated Delayed Fluorescence Using a Descriptor-Tuned Screened Range-Separated Functional
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b11681openalex-snapshot
Photophysics of OLED Materials with Emitters Exhibiting Thermally Activated Delayed Fluorescence and Used in Hole/Electron Transporting Layer from Optimally Tuned Range-Separated Density Functional Theory
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b12248openalex-snapshot
Combined Theoretical and Experimental Study on Intramolecular Charge Transfer Processes in Star-Shaped Conjugated Molecules
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b00224openalex-snapshot
Low Internal Reorganization Energy of the Metal–Metal-to-Ligand Charge Transfer Emission in Dimeric Pt(II) Complexes
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b01896openalex-snapshot
Toward an Accurate Description of Thermally Activated Delayed Fluorescence: Equal Importance of Electronic and Geometric Factors
inferred← citeshttps://doi.org/10.1021/acs.jpclett.0c01247openalex-snapshot
On-Surface Chemistry Induced by Long-Lived Excitons: (NO)2 Dissociation on C60
inferred← citeshttps://doi.org/10.1021/acs.jpclett.0c01580openalex-snapshot
Dual Mode Radiative Transition from a Phenoselenazine Derivative and Electrical Switching of the Emission Mechanism
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c00042openalex-snapshot
Single Excitation Energies Obtained from the Ensemble “HOMO–LUMO Gap”: Exact Results and Approximations
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c03425openalex-snapshot
Uncovering the Mechanism of Thermally Activated Delayed Fluorescence in Coplanar Emitters Using Potential Energy Surface Analysis
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c03831openalex-snapshot
Low-Temperature Luminescence in Organic Helicenes: Singlet versus Triplet State Circularly Polarized Emission
inferred← citeshttps://doi.org/10.1021/acs.jpclett.3c00836openalex-snapshot
Many-Body Green’s Function Theory for Electronic Excitations in Complex Chemical Systems
inferred← citeshttps://doi.org/10.1021/acs.jpclett.3c02365openalex-snapshot
Machine Learning-Based Screening for Potential Singlet Fission Chromophores: The Challenge of Imbalanced Data Sets
inferred← citeshttps://doi.org/10.1021/acs.jpclett.5c01844openalex-snapshot
Conical Intersections and Electronic Momentum as Viewed from Phase Space Electronic Structure Theory
inferred← citeshttps://doi.org/10.1021/acs.jpclett.5c03398openalex-snapshot
Indocyanine Green Fluorescence: Quenching by a Twisted Charge-Transfer State Violates the Kasha–Vavilov Rule
inferred← citeshttps://doi.org/10.1021/acs.jpclett.7b00688openalex-snapshot
Impact of Dielectric Constant on the Singlet–Triplet Gap in Thermally Activated Delayed Fluorescence Materials
inferred← citeshttps://doi.org/10.1021/acs.jpclett.8b00503openalex-snapshot
Carbene–Metal–Amide Bond Deformation, Rather Than Ligand Rotation, Drives Delayed Fluorescence
inferred← citeshttps://doi.org/10.1021/acs.jpclett.8b01045openalex-snapshot
Controlling the Emissive Activity in Heterocyclic Systems Bearing C═P Bonds
inferred← citeshttps://doi.org/10.1021/acs.jpclett.9b00221openalex-snapshot
Room-Temperature Phosphorescence from Metal-Free Organic Materials in Solution: Origin and Molecular Design
inferred← citeshttps://doi.org/10.1021/acs.nanolett.9b03427openalex-snapshot
Tuning Electronic Structure in Layered Hybrid Perovskites with Organic Spacer Substitution
inferred← citeshttps://doi.org/10.1021/acs.organomet.6b00753openalex-snapshot
Ir(III) Phosphors Modified with Fluorine Atoms in Pyridine-1,2,4-triazolyl Ligands for Efficient OLEDs Possessing Low-Efficiency Roll-off
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