Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts S Gallarati, R Fabregat, R Laplaza, S Bhattacharjee, MD Wodrich, ... Chemical Science 12 (20), 6879-6889, 2021 | 82 | 2021 |
Genetic optimization of homogeneous catalysts R Laplaza, S Gallarati, C Corminboeuf Chemistry‐Methods 2 (6), e202100107, 2022 | 32 | 2022 |
OSCAR: an extensive repository of chemically and functionally diverse organocatalysts S Gallarati, P van Gerwen, R Laplaza, S Vela, A Fabrizio, C Corminboeuf Chemical Science 13 (46), 13782-13794, 2022 | 30 | 2022 |
Understanding catalyst structure–selectivity relationships in Pd-catalyzed enantioselective methoxycarbonylation of styrene S Gallarati, P Dingwall, JA Fuentes, M Bühl, ML Clarke Organometallics 39 (24), 4544-4556, 2020 | 25 | 2020 |
Modular synthesis of benzocyclobutenes via Pd (II)-catalyzed oxidative [2+ 2] annulation of arylboronic acids with alkenes T Fujii, S Gallarati, C Corminboeuf, Q Wang, J Zhu Journal of the American Chemical Society 144 (20), 8920-8926, 2022 | 17 | 2022 |
Migrative carbofluorination of saturated amides enabled by Pd-based dyotropic rearrangement G Yang, H Wu, S Gallarati, C Corminboeuf, Q Wang, J Zhu Journal of the American Chemical Society 144 (31), 14047-14052, 2022 | 16 | 2022 |
Harvesting the fragment-based nature of bifunctional organocatalysts to enhance their activity S Gallarati, R Laplaza, C Corminboeuf Organic Chemistry Frontiers 9 (15), 4041-4051, 2022 | 14 | 2022 |
Influence of synthesis conditions on the structure of nickel nanoparticles and their reactivity in selective asymmetric hydrogenation R Arrigo, S Gallarati, ME Schuster, JM Seymour, D Gianolio, I da Silva, ... ChemCatChem 12 (5), 1491-1503, 2020 | 14 | 2020 |
Mechanistic insight into organic and industrial transformations: general discussion Y Aoki, M Bauer, T Braun, JA Cadge, GE Clarke, DJ Durand, O Eisenstein, ... Faraday Discussions 220, 282-316, 2019 | 11 | 2019 |
Genetic algorithms for the discovery of homogeneous catalysts S Gallarati, P Van Gerwen, AA Schoepfer, R Laplaza, C Corminboeuf Chimia 77 (1/2), 39-47, 2023 | 10 | 2023 |
The challenges of characterising nanoparticulate catalysts: general discussion R Arrigo, K Badmus, F Baletto, M Boeije, M Bowker, K Brinkert, A Bugaev, ... Faraday Discussions 208, 339-394, 2018 | 7 | 2018 |
A genetic optimization strategy with generality in asymmetric organocatalysis as a primary target S Gallarati, P van Gerwen, R Laplaza, L Brey, A Makaveev, ... Chemical science 15 (10), 3640-3660, 2024 | 6 | 2024 |
How Robust Is the Reversible Steric Shielding Strategy for Photoswitchable Organocatalysts? S Gallarati, R Fabregat, V Juraskova, TJ Inizan, C Corminboeuf The Journal of Organic Chemistry 87 (14), 8849-8857, 2022 | 6 | 2022 |
Control of catalytic nanoparticle synthesis: general discussion A Adishev, R Arrigo, F Baletto, A Bordet, V Bukhtiyarov, M Carosso, ... Faraday Discussions 208, 471-495, 2018 | 6 | 2018 |
Computational and theoretical approaches for mechanistic understanding: general discussion M Bauer, J Cadge, D Davies, DJ Durand, O Eisenstein, D Ess, N Fey, ... Faraday Discussions 220, 464-488, 2019 | 5 | 2019 |
From Organic Fragments to Photoswitchable Catalysts: The OFF–ON Structural Repository for Transferable Kernel-Based Potentials F Célerse, MD Wodrich, S Vela, S Gallarati, R Fabregat, V Juraskova, ... Journal of Chemical Information and Modeling 64 (4), 1201-1212, 2024 | 2 | 2024 |
Mapping Catalyst–Solvent Interplay in Competing Carboamination/Cyclopropanation Reactions MD Wodrich, M Chang, S Gallarati, Ł Woźniak, N Cramer, C Corminboeuf Chemistry–A European Journal 28 (41), e202200399, 2022 | 2 | 2022 |
Physical methods for mechanistic understanding: general discussion Y Aoki, M Bauer, T Braun, J Cadge, D Davies, DJ Durand, O Eisenstein, ... Faraday Discussions 220, 144-178, 2019 | 1 | 2019 |
Investigation on the structure and performance of supported Ni nanoparticles for the hydrogenation of furfural X Chen, S Alijani, S Gallarati, F Tessore, J Jose Delgado, D Gianolio, ... ChemCatChem 16 (20), e202400229, 2024 | | 2024 |
Enriching the Computational Toolbox for Organocatalysis S Gallarati EPFL, 2023 | | 2023 |