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Chemical Education

Working Paper

Ten Essential Delocalization Learning Outcomes: How Well Are They Achieved?

Myriam S. Carle, Romeo Junior El Issa, Nicolas Pilote, Alison B. Flynn

Version 2 posted 12 July 2021

548

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3

Citations

Theoretical and Computational Chemistry

Working Paper

Real Space Delocalization, Resonance and Aromaticity

Leonard Reuter, Arne Lüchow

Version 1 posted 24 November 2020

408

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Inorganic Chemistry

Working Paper

Unusually Strong Long-range Electronic Coupling Across Redox-Active Bridges in M3+/M4+ Mixed-Valence Complexes of Group 4 Congeners

Colby Seth Bell, Nathan J. DeYonker, Curtis E. Moore, Kensha Marie Clark

Version 1 posted 09 July 2021

506

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Physical Chemistry

Working Paper

Unlocking Delocalization: How Much Coupling Strength can Overcome Energy Disorder in Molecular Polaritons?

Tianlin Liu, Guoxin Yin, Wei Xiong

Version 1 posted 21 May 2024

255

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Theoretical and Computational Chemistry

Working Paper

Visible-Light-Induced Exciton Dynamics and Trans-to-Cis Isomerization in Azobenzene Aggregates: Insights from Surface Hopping / Semiempirical Configuration Interaction Molecular Dynamics Simulations

Evgenii Titov

Version 1 posted 04 December 2023

175

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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

121

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Materials Science

Working Paper

A straightforward method to quantify the electron-delocalizing ability of pi-conjugated molecules

David Bradley, Callum Branley, Martin Peeks

Version 2 posted 19 April 2022

372

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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

318

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Physical Chemistry

Working Paper

Exciton Transfer Simulations in LH2 Accelerated by Machine-Learned Hamiltonians Reveal Transient Delocalization Mechanism

David Sebastian Hoffmann, Philipp Dohmen, Monja Sokolov, Ulrich Kleinekathöfer, Marcus Elstner

Version 1 posted 17 October 2024

185

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Organic Chemistry

Working Paper

Charge Delocalization and Global Aromaticity in a Partially Fused 12-Porphyrin Nanoring

Sebastian Kopp, Henrik Gotfredsen, Janko Hergenhahn, Arnau Rodríguez-Rubio, Jie-Ren Deng, He Zhu, Wojciech Stawski, Harry Anderson

Version 1 posted 07 March 2024

528

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10 results in delocalization in Keywords: delocalization

Ten Essential Delocalization Learning Outcomes: How Well Are They Achieved?

Real Space Delocalization, Resonance and Aromaticity

Unusually Strong Long-range Electronic Coupling Across Redox-Active Bridges in M3+/M4+ Mixed-Valence Complexes of Group 4 Congeners

Unlocking Delocalization: How Much Coupling Strength can Overcome Energy Disorder in Molecular Polaritons?

Visible-Light-Induced Exciton Dynamics and Trans-to-Cis Isomerization in Azobenzene Aggregates: Insights from Surface Hopping / Semiempirical Configuration Interaction Molecular Dynamics Simulations

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

A straightforward method to quantify the electron-delocalizing ability of pi-conjugated molecules

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

Exciton Transfer Simulations in LH2 Accelerated by Machine-Learned Hamiltonians Reveal Transient Delocalization Mechanism

Charge Delocalization and Global Aromaticity in a Partially Fused 12-Porphyrin Nanoring

10 results in Keywords: delocalization