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5 results in Authors: Éric BRÉMOND

Theoretical and Computational Chemistry

Boosting the Modeling of InfraRed and Raman Spectra of Bulk Phase Chromophores with Machine Learning

Abir KEBABSA, François MAUREL, Éric BRÉMOND

Version 2 posted 18 July 2024

96

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Theoretical and Computational Chemistry

Predicting Redox Potentials by Graph-Based Machine Learning Methods

Linlin Jia, Éric Brémond, Larissa Zaida, Benoit Gaüzere, Vincent Tognetti, Laurent Joubert

Version 2 posted 19 March 2024

504

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Physical Chemistry

Modeling the Photo-Absorption Properties of Noble Metal Nanoclusters: a Challenge for Density-Functional Theory

Priscila SEVEUR, Leïla BOUBEKEUR-LECAQUE, François MAUREL, Éric BRÉMOND

Version 2 posted 15 February 2023

231

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Predicting Ruthenium Catalysed Hydrogenation of Esters using Machine Learning

Challenger Mishra, Niklas von Wolff, Abhinav Tripathi, Eric Brémond, Annika Preiss, Amit Kumar

Version 1 posted 11 January 2022

563

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Theoretical and Computational Chemistry

DockSurf: A molecular modeling software for the prediction of protein/surface adhesion.

Florent Barbault, Eric Bremond, Julien Rey, Pierre Tuffery, François Maurel

Version 1 posted 07 April 2023

176

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