Search

6 results in Authors: Roxanne Berthin

Physical Chemistry

Working Paper

Solvation of anthraquinone and Tempo redox-active species in acetonitrile using a polarizable force field

Roxanne Berthin, Alessandra Serva, Kyle Reeves, Esther Heid, Christian Schroeder, Mathieu Salanne

Version 1 posted 29 June 2021

376

Downloads

Theoretical and Computational Chemistry

Working Paper

Electron Transfer of Functionalised Quinones in Acetonitrile

Tzu-Yao Hsu, Roxanne Berthin, Alessandra Serva, Kyle Reeves, Mathieu Salanne, Guillaume Jeanmairet

Version 1 posted 13 June 2022

203

Downloads

Energy

Working Paper

Nanostructural Organization in a Biredox Ionic Liquid

Roxanne Berthin, Alessandra Serva, Olivier Fontaine, Mathieu Salanne

Version 1 posted 03 November 2022

166

Downloads

Theoretical and Computational Chemistry

Working Paper

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

Alessandro Coretti, Camille Bacon, Roxanne Berthin, Alessandra Serva, Laura Scalfi, Iurii Chubak, Kateryna Goloviznina, Matthieu Haefele, Abel Marin-Laflèche, Benjamin Rotenberg, Sara Bonella, Mathieu Salanne

Version 1 posted 07 June 2022

449

Downloads

Catalysis

Working Paper

Tuning the Water Reduction Through Controlled Nanoconfinement Within an Organic Liquid Matrix

Nicolas Dubouis, Alessandra Serva, Roxanne Berthin, Guillaume Jeanmairet, Benjamin Porcheron, Elodie Salager, Mathieu Salanne, Alexis Grimaud

Version 2 posted 01 June 2020

1,288

Downloads

Theoretical and Computational Chemistry

Working Paper

MetalWalls: A Classical Molecular Dynamics Software Dedicated to the Simulation of Electrochemical Systems

Abel Marin-Laflèche, Matthieu Haefele, Laura Scalfi, Alessandro Coretti, Thomas Dufils, Guillaume Jeanmairet, Stewart Reed, Alessandra Serva, Roxanne Berthin, Camille Bacon, Sara Bonella, Benjamin Rotenberg, Paul Anthony Madden, Mathieu Salanne

Version 1 posted 02 June 2020

863

Downloads

Citations

Search

Refine Search

6 results in Roxanne Berthin in Authors: Roxanne Berthin

Solvation of anthraquinone and Tempo redox-active species in acetonitrile using a polarizable force field

Electron Transfer of Functionalised Quinones in Acetonitrile

Nanostructural Organization in a Biredox Ionic Liquid

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

Tuning the Water Reduction Through Controlled Nanoconfinement Within an Organic Liquid Matrix

MetalWalls: A Classical Molecular Dynamics Software Dedicated to the Simulation of Electrochemical Systems

6 results in Authors: Roxanne Berthin