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Simone Gallarati
Simone Gallarati
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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
822021
Genetic optimization of homogeneous catalysts
R Laplaza, S Gallarati, C Corminboeuf
Chemistry‐Methods 2 (6), e202100107, 2022
322022
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
302022
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
252020
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
172022
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
162022
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
142022
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
142020
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
112019
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
102023
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
72018
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
62024
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
62022
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
62018
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
52019
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
22024
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
22022
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
12019
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
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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