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Theoretical and Computational Chemistry

Working Paper

Indications for a Direct Singlet Fission Mechanism in TIPS-Pentacene Crystals from Hybrid DFT/MRCI and Molecular Mechanics Studies

Timo Schulz, Simon Hédé, Christel Marian

Version 1 posted 16 December 2024

47

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Energy

Working Paper

Strategies for Design of Potential Singlet Fission Chromophores Utilizing a Combination of Ground State and Excited State Aromaticity Rules

Ouissam El Bakouri, Joshua R. Smith, Henrik Ottosson

Version 2 posted 10 February 2020

1,052

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Physical Chemistry

Working Paper

Singlet and Triplet Exciton Dynamics of Violanthrone

Elham Gholizadeh, Shyamal Prasad, Lara Gillan, Dane R. McCamey, Murad J. Y. Tayebjee, Timothy Schmidt

Version 1 posted 30 March 2021

491

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Theoretical and Computational Chemistry

Working Paper

Designs of Singlet Fission Chromophores with a Diazadiaborine Framework

Ekadashi Pradhan, Jordan N. Bentley, Christopher B. Caputo, Tao Zeng

Version 1 posted 23 April 2020

574

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Theoretical and Computational Chemistry

Working Paper

Diboron- and Diaza-Doped Anthracenes and Phenanthrenes: Their Electronic Structures for Being Singlet Fission Chromophores

Ekadashi Pradhan, Tao Zeng

Version 1 posted 29 July 2020

315

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Organic Chemistry

Working Paper

Preparation of a Rigid and nearly Coplanar Bis-Tetracene Dimer through Application of the CANAL Reaction

Ethan G. Miller, Madhu Singh, Sean R. Parkin, Tarek Sammakia, Niels Damrauer

Version 1 posted 15 April 2021

703

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2

Citations

Inorganic Chemistry

Working Paper

Controlling Singlet Fission with Coordination Chemistry-Induced Assembly of Dipyridyl Pyrrole Bipentacenes

Ryan Ribson, Gyeongshin Choi, Ryan Hadt, Theodor Agapie

Version 1 posted 28 July 2020

308

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Physical Chemistry

Working Paper

Excited State Dynamics of Perylenediimide films with Isopropyl phenyl- and Undecane-Substitution

Qiu-Shi Ma, Cheng-Wei Ju, Ruihua Pu, Wenjie Zhang, Xian Lin, Yihan Chen, Weimin Liu

Version 2 posted 22 December 2020

1,214

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Physical Chemistry

Working Paper

Mechanism of singlet fission in carotenoids from a polyene model system

Supriyo Santra, Jyotirmoy Ray, Debashree Ghosh

Version 1 posted 24 May 2022

295

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Materials Chemistry

Working Paper

Room-temperature quantum coherence of entangled multiexcitons in a metal-organic framework

Akio Yamauchi, Kentaro Tanaka, Masaaki Fuki, Saiya Fujiwara, Nobuo Kimizuka, Tomohiro Ryu, Masaki Saigo, Ken Onda, Yasuhiro Kobori, Kiyoshi Miyata, Nobuhiro Yanai

Version 1 posted 13 April 2023

932

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Refine Search

35 results in Singlet Fission in Keywords: Singlet Fission

Indications for a Direct Singlet Fission Mechanism in TIPS-Pentacene Crystals from Hybrid DFT/MRCI and Molecular Mechanics Studies

Strategies for Design of Potential Singlet Fission Chromophores Utilizing a Combination of Ground State and Excited State Aromaticity Rules

Singlet and Triplet Exciton Dynamics of Violanthrone

Designs of Singlet Fission Chromophores with a Diazadiaborine Framework

Diboron- and Diaza-Doped Anthracenes and Phenanthrenes: Their Electronic Structures for Being Singlet Fission Chromophores

Preparation of a Rigid and nearly Coplanar Bis-Tetracene Dimer through Application of the CANAL Reaction

Controlling Singlet Fission with Coordination Chemistry-Induced Assembly of Dipyridyl Pyrrole Bipentacenes

Excited State Dynamics of Perylenediimide films with Isopropyl phenyl- and Undecane-Substitution

Mechanism of singlet fission in carotenoids from a polyene model system

Room-temperature quantum coherence of entangled multiexcitons in a metal-organic framework

35 results in Keywords: Singlet Fission