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Simone Gallarati

3 results in Authors: Simone Gallarati

OSCAR: An Extensive Repository of Chemically and Functionally Diverse Organocatalysts

Simone Gallarati, Puck van Gerwen, Ruben Laplaza, Sergi Vela, Alberto Fabrizio, Clemence Corminboeuf

Version 1 posted 30 August 2022

683

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Theoretical and Computational Chemistry

From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-based Potentials

Frédéric Célerse, Matthew Wodrich, Sergi Vela, Simone Gallarati, Raimon Fabregat, Veronika Juraskova, Clémence Corminboeuf

Version 1 posted 06 December 2023

115

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A Genetic Optimization Strategy with Generality in Asymmetric Organocatalysis as Primary Target

Simone Gallarati, Puck van Gerwen, Ruben Laplaza, Lucien Brey, Alexander Makaveev, Clemence Corminboeuf

Version 1 posted 17 November 2023

484

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