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Prediction of fluorescence quantum yields using the extended thawed Gaussian approximation

The Journal of chemical physics, 2023-12, Vol.159 (23)

2023

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Internal conversion rates from the extended thawed Gaussian approximation: Theory and validation

The Journal of chemical physics, 2023-01, Vol.158 (3), p.034105

2023

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A trajectory surface hopping study of the vibration-induced autodetachment dynamics of the 1-nitropropane anion

Theoretical chemistry accounts, 2023-12, Vol.142 (12), Article 123

2023

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Excitation energy transport in DNA modelled by multi-chromophoric field-induced surface hopping

Physical chemistry chemical physics : PCCP, 2020-08, Vol.22 (29), p.16536-16551

2020

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The origin of the solvent dependence of fluorescence quantum yields in dipolar merocyanine dyes

Chemical science (Cambridge), 2019-12, Vol.1 (48), p.1113-1122

2019

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Conformational preferences of modified nucleobases in RNA aptamers and their effect on Förster resonant energy transfer

Physical chemistry chemical physics : PCCP, 2023-12, Vol.26 (1), p.241-248

2023

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(De)localization dynamics of molecular excitons: comparison of mixed quantum-classical and fully quantum treatments

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (2), p.12136-12148

2022

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Onset of spin entanglement in doped carbon nanotubes studied by EPR

The Journal of chemical physics, 2024-06, Vol.160 (23)

2024

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Simulation of exciton spectra in disordered supramolecular polymers: exciton localization in cisoid indolenine squaraine hexamers

Physical chemistry chemical physics : PCCP, 2023-12, Vol.26 (1), p.219-229

2023

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A block Jacobi method for complex skew-symmetric matrices with applications in the time-dependent variational principle

Computer physics communications, 2018-10, Vol.231, p.187-197

2018

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Time-resolved photoelectron spectroscopy of 4-(dimethylamino)benzethyne - an experimental and computational study

Physical chemistry chemical physics : PCCP, 2023-04, Vol.25 (14), p.9837-9845

2023

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Ultrafast Ring Closure Reaction of Gaseous cis-Stilbene from S1(ππ)

Journal of the American Chemical Society, 2023-02, Vol.145 (6), p.3283-3288

2023

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Comparison of moving and fixed basis sets for nonadiabatic quantum dynamics at conical intersections

Chemical physics, 2020-01, Vol.528, p.110526, Article 110526

2020

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Ultrafast Photodynamics of Glucose

The journal of physical chemistry. B, 2018-01, Vol.122 (1), p.19-27

2018

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Exciton Dynamics from Strong to Weak Coupling Limit Illustrated on a Series of Squaraine Dimers

Journal of physical chemistry. C, 2018-04, Vol.122 (15), p.8082-8093

2018

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Effect of varying the TD-lc-DFTB range-separation parameter on charge and energy transfer in a model pentacene/buckminsterfullerene heterojunction

The Journal of chemical physics, 2021-02, Vol.154 (5), p.054102-054102

2021

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Clusters as model systems for investigating nanoscale oxidation catalysis

Chemical physics letters, 2009-06, Vol.475 (1), p.1-9

2009

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Aggregation‐Induced Emission in a Flexible Phosphine Oxide and its Zn(II) Complexes—A Simple Approach to Blue Luminescent Materials

Advanced functional materials, 2023-03, Vol.33 (13), p.n/a

2023

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Cooperative water oxidation catalysis in a series of trinuclear metallosupramolecular ruthenium macrocycles

Energy & environmental science, 2017-10, Vol.10 (10), p.2137-2153

2017

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DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B)

Computer physics communications, 2017-12, Vol.221, p.174-202

2017

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Nonadiabatic Exciton Dynamics and Energy Gradients in the Framework of FMO-LC-TDDFTB

Journal of chemical theory and computation, 2024-08, Vol.20 (15), p.6587-6603

2024

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Time- and angle-resolved photoemission spectroscopy of hydrated electrons near a liquid water surface

Physical review letters, 2014-05, Vol.112 (18), p.187603-187603, Article 187603

2014

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Photodissociation dynamics of propargylene, HCCCH

Physical chemistry chemical physics : PCCP, 2014-04, Vol.16 (13), p.6294-6302

2014

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Long-range correction for tight-binding TD-DFT

The Journal of chemical physics, 2015-10, Vol.143 (13), p.134120-134120

2015

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Optimal control of light propagation and exciton transfer in arrays of molecular-like noble-metal clusters

Physical review. B, Condensed matter and materials physics, 2015-03, Vol.91 (12), Article 125436

2015

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Prediction of fluorescence quantum yields using the extended thawed Gaussian approximation

Internal conversion rates from the extended thawed Gaussian approximation: Theory and validation

A trajectory surface hopping study of the vibration-induced autodetachment dynamics of the 1-nitropropane anion

Excitation energy transport in DNA modelled by multi-chromophoric field-induced surface hopping

The origin of the solvent dependence of fluorescence quantum yields in dipolar merocyanine dyes

Conformational preferences of modified nucleobases in RNA aptamers and their effect on Förster resonant energy transfer

(De)localization dynamics of molecular excitons: comparison of mixed quantum-classical and fully quantum treatments

Onset of spin entanglement in doped carbon nanotubes studied by EPR

Simulation of exciton spectra in disordered supramolecular polymers: exciton localization in cisoid indolenine squaraine hexamers

A block Jacobi method for complex skew-symmetric matrices with applications in the time-dependent variational principle

Time-resolved photoelectron spectroscopy of 4-(dimethylamino)benzethyne - an experimental and computational study

Ultrafast Ring Closure Reaction of Gaseous cis-Stilbene from S1(ππ)

Comparison of moving and fixed basis sets for nonadiabatic quantum dynamics at conical intersections

Ultrafast Photodynamics of Glucose

Exciton Dynamics from Strong to Weak Coupling Limit Illustrated on a Series of Squaraine Dimers

Effect of varying the TD-lc-DFTB range-separation parameter on charge and energy transfer in a model pentacene/buckminsterfullerene heterojunction

Clusters as model systems for investigating nanoscale oxidation catalysis

Aggregation‐Induced Emission in a Flexible Phosphine Oxide and its Zn(II) Complexes—A Simple Approach to Blue Luminescent Materials

Cooperative water oxidation catalysis in a series of trinuclear metallosupramolecular ruthenium macrocycles

DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B)

Nonadiabatic Exciton Dynamics and Energy Gradients in the Framework of FMO-LC-TDDFTB

Time- and angle-resolved photoemission spectroscopy of hydrated electrons near a liquid water surface

Photodissociation dynamics of propargylene, HCCCH

Long-range correction for tight-binding TD-DFT

Optimal control of light propagation and exciton transfer in arrays of molecular-like noble-metal clusters

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