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Theoretical and Computational Chemistry

Working Paper

Exciton localization and transfer in azobenzene aggregates: A surface hopping molecular dynamics study

Evgenii Titov

Version 1 posted 30 March 2023

338

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Theoretical and Computational Chemistry

Review

Visualizing and Characterizing Excited States from Time-Dependent Density Functional Theory

John Herbert

Version 2 posted 12 December 2023

1,121

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Inorganic Chemistry

Working Paper

Unexpected Photo-driven Linker-to-Node Hole Transfer in a Zirconium-Based Metal–Organic Framework

Boris Kramar, Anna Bondarenko, Benjamin Diroll, Xiaodan Wang, Kirk Schanze, Lin Chen, Roel Tempelaar, Joseph Hupp

Version 1 posted 05 December 2023

320

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Physical Chemistry

Working Paper

The Prominent Role of Charge Transfer in the Spectral Tuning of Photosynthetic Light-Harvesting I Complex

Kazuhiro J. Fujimoto, Rio Tsuji, Zheng-Yu Wang-Otomo, Takeshi Yanai

Version 1 posted 18 August 2023

178

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Materials Science

Working Paper

Exciton Effects in Low-Strain GaN/AlGaN Quantum Wells

Arianna Cretì, David Maria Tobaldi, Mauro Lomascolo, Iolena Tarantini, Adriana Passaseo, Vittorianna Tasco

Version 2 posted 08 April 2022

341

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Theoretical and Computational Chemistry

Working Paper

Performance of density functionals for excited-state properties of isolated chromophores and exciplexes: Emission spectra, solvatochromic shifts, and charge-transfer character

Abhilash Patra, George Baffour Pipim, Anna I. Krylov, Shaama Mallikarjun Sharada

Version 1 posted 04 January 2024

253

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Theoretical and Computational Chemistry

Working Paper

The Role of Double Excitations in Exciton Dynamics of Multiazobenzenes: Trisazobenzenophane as a Test Case

Evgenii Titov

Version 1 posted 30 May 2024

167

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Theoretical and Computational Chemistry

Working Paper

Data-Driven Insights into the Fluorescence of Asphaltene Aggregates Using Extended Frenkel Exciton Model

Fangning Ren, Fang Liu

Version 2 posted 26 September 2023

257

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Theoretical and Computational Chemistry

Working Paper

Resonance Tunability and Ultra-Long Range Enhancement of Plasmon-Coupled Resonance Energy Transfer Facilitated by Silver Nanorods (I): An Overview via Computational Study

Albert Benjamin Lamonda, David F. Coker, Wendu Ding

Version 1 posted 28 June 2023

214

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Ab Initio Study of Charge Separation Dynamics and Pump–Probe Spectroscopy in the P3HT/PCBM Blend

Takatoshi Fujita, Takeo Hoshi

Version 2 posted 11 August 2023

201

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Refine Search

26 results in Exciton in Keywords: Exciton

Exciton localization and transfer in azobenzene aggregates: A surface hopping molecular dynamics study

Visualizing and Characterizing Excited States from Time-Dependent Density Functional Theory

Unexpected Photo-driven Linker-to-Node Hole Transfer in a Zirconium-Based Metal–Organic Framework

The Prominent Role of Charge Transfer in the Spectral Tuning of Photosynthetic Light-Harvesting I Complex

Exciton Effects in Low-Strain GaN/AlGaN Quantum Wells

Performance of density functionals for excited-state properties of isolated chromophores and exciplexes: Emission spectra, solvatochromic shifts, and charge-transfer character

The Role of Double Excitations in Exciton Dynamics of Multiazobenzenes: Trisazobenzenophane as a Test Case

Data-Driven Insights into the Fluorescence of Asphaltene Aggregates Using Extended Frenkel Exciton Model

Resonance Tunability and Ultra-Long Range Enhancement of Plasmon-Coupled Resonance Energy Transfer Facilitated by Silver Nanorods (I): An Overview via Computational Study

Ab Initio Study of Charge Separation Dynamics and Pump–Probe Spectroscopy in the P3HT/PCBM Blend

26 results in Keywords: Exciton