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Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield

Andrew T. Turley, Andrew Danos, Antonio Prlj, Andrew P. Monkman, Basile F.E. Curchod, Paul R. McGonigal, Marc Etherington

Version 1 posted 22 April 2020

485

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Physical Chemistry

Working Paper

Interplay Between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in Fluorescent Protein Dreiklang

TIRTHENDU SEN, Yingying Ma, Igor Polyakov, Bella Grigorenko, Alexander Nemukhin, Anna I. Krylov

Version 1 posted 12 October 2020

743

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Energy

Working Paper

Dibenzo-Tetraphenyl Diindeno as Hole Transport Layer for Perovskite Solar Cells Fabrication

Meenakshi Pegu, Laura Calio, Mehrad Ahmadpour, Horst-Günter Rubahn, Samrana Kazim, Morten Madsen, Shahzada Ahmad

Version 1 posted 09 March 2020

707

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1

Citations

Catalysis

Working Paper

What Changes on the Inverse Catalyst? Insight From CO Oxidation on Au-Supported Ceria Nanoparticles Using Ab Initio Molecular Dynamics

Yong Li, Shikun Li, Marcus Bäumer, Lyudmila V. Moskaleva

Version 1 posted 23 December 2019

509

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Biological and Medicinal Chemistry

Working Paper

Biological Relevance of Charge Transfer Branching Pathways in Photolyases

Daniel Holub, Tilman Lamparter, Marcus Elstner, Natacha Gillet

Version 1 posted 04 March 2019

405

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Theoretical and Computational Chemistry

Working Paper

Description of Intermolecular Charge Transfer With Subsystem Density-Functional Theory

Anika Schulz, Christoph R. Jacob

Version 1 posted 22 August 2019

621

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Physical Chemistry

Working Paper

Guidelines for Tuning the Excited State Hückel-Baird Hybrid Aromatic Character of Pro-Aromatic Quinoidal Compounds

Sílvia Escayola, Claire Tonnelé, Eduard Matito, Albert Poater, Henrik Ottosson, Miquel Solà, David Casanova

Version 1 posted 30 December 2020

516

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Theoretical and Computational Chemistry

Working Paper

Charge transfer excitations from exact and approximate ensemble Kohn-Sham theory

Tim Gould, Stefano Pittalis, Leeor Kronik

Version 2 posted 13 April 2018

1,432

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Physical Chemistry

Working Paper

Interplay of Direct and Indirect Charge Transfer Pathways in Donor-Bridge-Acceptor Systems

Junjie Liu, Dvira Segal

Version 1 posted 28 May 2019

587

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Theoretical and Computational Chemistry

Working Paper

Variational Forward-Backward Charge Transfer Analysis Based on Absolutely Localized Molecular Orbitals: Energetics and Molecular Properties

Matthias Loipersberger, Yuezhi Mao, Martin Head-Gordon

Version 1 posted 12 December 2019

453

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86 results in Charge Transfer in Keywords: Charge Transfer

Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield

Interplay Between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in Fluorescent Protein Dreiklang

Dibenzo-Tetraphenyl Diindeno as Hole Transport Layer for Perovskite Solar Cells Fabrication

What Changes on the Inverse Catalyst? Insight From CO Oxidation on Au-Supported Ceria Nanoparticles Using Ab Initio Molecular Dynamics

Biological Relevance of Charge Transfer Branching Pathways in Photolyases

Description of Intermolecular Charge Transfer With Subsystem Density-Functional Theory

Guidelines for Tuning the Excited State Hückel-Baird Hybrid Aromatic Character of Pro-Aromatic Quinoidal Compounds

Charge transfer excitations from exact and approximate ensemble Kohn-Sham theory

Interplay of Direct and Indirect Charge Transfer Pathways in Donor-Bridge-Acceptor Systems

Variational Forward-Backward Charge Transfer Analysis Based on Absolutely Localized Molecular Orbitals: Energetics and Molecular Properties

86 results in Keywords: Charge Transfer