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Organic Chemistry

Working Paper

Correlation Between Optical Activity and the Helical Molecular Orbitals of Allene and Cumulenes

Marc Hamilton Garner, Clemence Corminboeuf

Version 1 posted 04 September 2020

492

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Theoretical and Computational Chemistry

Working Paper

A Transferable Machine-Learning Model of the Electron Density

Clemence Corminboeuf, Michele Ceriotti, Benjamin Meyer, Alberto Fabrizio, Andrea Grisafi, David M. Wilkins

Version 1 posted 18 September 2018

1,153

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Physical Chemistry

Working Paper

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain

Sergi Vela, Alan Scheidegger, Raimon Fabregat, Clemence Corminboeuf

Version 2 posted 26 August 2020

459

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Theoretical and Computational Chemistry

Working Paper

Balancing DFT Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

Alberto Fabrizio, Riccardo Petraglia, Clemence Corminboeuf

Version 1 posted 11 December 2019

547

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Organic Chemistry

Working Paper

The Photoisomerization Pathway(s) of Push-Pull Phenylazoheteroarenes

Sergi Vela, Clemence Corminboeuf

Version 1 posted 29 April 2020

583

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Theoretical and Computational Chemistry

Working Paper

Identifying the Trade-off between Intramolecular Singlet Fission Requirements in Donor-Acceptor Copolymers

Jacob Terence Blaskovits, Maria Fumanal, Sergi Vela, Raimon Fabregat, Clemence Corminboeuf

Version 1 posted 07 December 2020

443

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Physical Chemistry

Working Paper

Exploring the Chemical Space in Search for Improved Azoheteroarene-Based Photoswitches

Sergi Vela, Constantin Kruger, Clemence Corminboeuf

Version 1 posted 16 July 2019

599

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Organometallic Chemistry

Review

Toward in silico Catalyst Optimization

Matthew Wodrich, Ruben Laplaza, Nicolai Cramer, Markus Reiher, Clemence Corminboeuf

Version 1 posted 30 December 2022

429

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Theoretical and Computational Chemistry

Working Paper

Designing Singlet Fission Candidates from Donor-Acceptor Copolymers

Jacob Terence Blaskovits, Maria Fumanal, Sergi Vela, Clemence Corminboeuf

Version 2 posted 27 April 2020

864

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Theoretical and Computational Chemistry

Working Paper

Is a Single Conformer Sufficient to Describe the Reorganization Energy of Amorphous Organic Transport Materials?

Jacob Terence Blaskovits, Kun-Han Lin, Raimon Fabregat, Iwona Swiderska, Hélène Wu, Clemence Corminboeuf

Version 1 posted 19 January 2021

375

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1

Citations

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30 results in Clémence Corminboeuf in Authors: Clémence Corminboeuf

Correlation Between Optical Activity and the Helical Molecular Orbitals of Allene and Cumulenes

A Transferable Machine-Learning Model of the Electron Density

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain

Balancing DFT Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

The Photoisomerization Pathway(s) of Push-Pull Phenylazoheteroarenes

Identifying the Trade-off between Intramolecular Singlet Fission Requirements in Donor-Acceptor Copolymers

Exploring the Chemical Space in Search for Improved Azoheteroarene-Based Photoswitches

Toward in silico Catalyst Optimization

Designing Singlet Fission Candidates from Donor-Acceptor Copolymers

Is a Single Conformer Sufficient to Describe the Reorganization Energy of Amorphous Organic Transport Materials?

30 results in Authors: Clémence Corminboeuf