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How does tetraphenylethylene relax from its excited states?

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (17), p.11606-11609

2016

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Direct Observation of Aggregation‐Induced Emission Mechanism

Angewandte Chemie International Edition, 2020-08, Vol.59 (35), p.14903-14909

International ed. in English, 2020

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A Rising Star: Truxene as a Promising Hole Transport Material in Perovskite Solar Cells

Journal of physical chemistry. C, 2017-10, Vol.121 (39), p.21729-21739

2017

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Fluorescence Quenching in BODIPY Dyes: The Role of Intramolecular Interactions and Charge Transfer

Helvetica chimica acta, 2017-06, Vol.100 (6), p.e1700093

2017

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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

Journal of physical chemistry. C, 2019-11, Vol.123 (45), p.27778-27784

2019

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Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds

The journal of physical chemistry letters, 2015-01, Vol.6 (1), p.13-21

2015

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Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction

The Journal of chemical physics, 2015-12, Vol.143 (22), p.224107-224107

2015

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How does alkyl chain length modify the properties of triphenylamine-based hole transport materials?

Journal of materials chemistry. C, Materials for optical and electronic devices, 2018, Vol.6 (5), p.960-965

2018

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Fluorescence Quenching in BODIPY Dyes: The Role of Intramolecular Interactions and Charge Transfer

Helvetica chimica acta, 2017-06, Vol.100 (6), p.n/a

2017

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Direct Observation of Aggregation‐Induced Emission Mechanism

Angewandte Chemie, 2020-08, Vol.132 (35), p.15013-15019

2020

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Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis Observables

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-09, Vol.127 (35), p.7400-7409

2023

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A Theoretical Perspective on the Actinic Photochemistry of 2‑Hydroperoxypropanal

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-08, Vol.126 (32), p.5420-5433

2022

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Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTB

Physical chemistry chemical physics : PCCP, 2019-05, Vol.21 (18), p.9026-9035

2019

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On the Theoretical Determination of Photolysis Properties for Atmospheric Volatile Organic Compounds

The journal of physical chemistry letters, 2020-07, Vol.11 (14), p.5418-5425

2020

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Rationalizing fluorescence quenching in meso-BODIPY dyesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06799a

2016-12

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Caveat when using ADC(2) for studying the photochemistry of carbonyl-containing molecules

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (23), p.12945-12949

2021

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Semiclassical Approach to Photophysics Beyond Kasha’s Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene

Journal of chemical theory and computation, 2020-04, Vol.16 (4), p.2617-2626

2020

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How does tetraphenylethylene relax from its excited states?Electronic supplementary information (ESI) available: Computational details, method assessment and additional mechanistic analysis. See DOI: 10.1039/c5cp04546k

2016-04

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Timescales of N-H bond dissociation in pyrrole: a nonadiabatic dynamics study

Physical chemistry chemical physics : PCCP, 2015-07, Vol.17 (29), p.19012-19020

2015

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Photochemistry of 1‐ and 2‐Naphthols and Their Water Clusters: The Role of 1ππ(La) Mediated Hydrogen Transfer to Carbon Atoms

Chemistry : a European journal, 2017-06, Vol.23 (34), p.8244-8251

2017

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Photochemistry of 1- and 2-Naphthols and Their Water Clusters: The Role of 1[pi][pi](La) Mediated Hydrogen Transfer to Carbon Atoms

Chemistry : a European journal, 2017-06, Vol.23 (34), p.8244

2017

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Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systems

Physical chemistry chemical physics : PCCP, 2015-06, Vol.17 (22), p.14719-14730

2015

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Enhancing the power conversion efficiency of dye-sensitized solar cells via molecular plasmon-like excitationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cc09697b

2017-02

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Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTBElectronic supplementary information (ESI) available: Parameters for the nonadiabatic dynamics and additional analysis of the electronic population and mechanisms. See DOI: 10.1039/c9cp00691e

2019-05

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Multiarm and Substituent Effects on Charge Transport of Organic Hole Transport Materials

Chemistry of materials, 2019-09, Vol.31 (17), p.6605-6614

2019

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How does tetraphenylethylene relax from its excited states?

Direct Observation of Aggregation‐Induced Emission Mechanism

A Rising Star: Truxene as a Promising Hole Transport Material in Perovskite Solar Cells

Fluorescence Quenching in BODIPY Dyes: The Role of Intramolecular Interactions and Charge Transfer

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

Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds

Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction

How does alkyl chain length modify the properties of triphenylamine-based hole transport materials?

Fluorescence Quenching in BODIPY Dyes: The Role of Intramolecular Interactions and Charge Transfer

Direct Observation of Aggregation‐Induced Emission Mechanism

Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis Observables

A Theoretical Perspective on the Actinic Photochemistry of 2‑Hydroperoxypropanal

Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTB

On the Theoretical Determination of Photolysis Properties for Atmospheric Volatile Organic Compounds

Rationalizing fluorescence quenching in meso-BODIPY dyesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06799a

Caveat when using ADC(2) for studying the photochemistry of carbonyl-containing molecules

Semiclassical Approach to Photophysics Beyond Kasha’s Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene

How does tetraphenylethylene relax from its excited states?Electronic supplementary information (ESI) available: Computational details, method assessment and additional mechanistic analysis. See DOI: 10.1039/c5cp04546k

Timescales of N-H bond dissociation in pyrrole: a nonadiabatic dynamics study

Photochemistry of 1‐ and 2‐Naphthols and Their Water Clusters: The Role of 1ππ(La) Mediated Hydrogen Transfer to Carbon Atoms

Photochemistry of 1- and 2-Naphthols and Their Water Clusters: The Role of 1[pi][pi](La) Mediated Hydrogen Transfer to Carbon Atoms

Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systems

Enhancing the power conversion efficiency of dye-sensitized solar cells via molecular plasmon-like excitationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cc09697b

Multiarm and Substituent Effects on Charge Transport of Organic Hole Transport Materials

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