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Results: 13

Jonathan Trouvé, Vanessa Delahaye, Michele Tomasini, Purushothaman Rajeshwaran, Thierry Roisnel, Albert Poater, Rafael Gramage-Doria
Repurposing a supramolecular iridium catalystvia secondary Zn—O=C weak interactions between the ligand and substrate leads toortho -selective C(sp² )–H borylation of benzamides with unusual kinetics
Chem. Sci., 2024, 15, 11794-11806
DOI: 10.1039/D4SC01515K
OpenAccess: Link
Keywords: Chemical bonding, Computational chemistry, Enzyme design, Organometallics, Sustainable Catalysis

Sílvia Escayola, Naeimeh Bahri-Laleh, Albert Poater
%V _Bur index and steric maps: from predictive catalysis to machine learning
Chem. Soc. Rev., 2024, 53, 853-882
DOI: 10.1039/D3CS00725A
OpenAccess: –
Keywords: Chemical bonding, Computational chemistry, Machine learning, Predictive Chemistry, Sustainable Catalysis

Hima P, Michele Tomasini, Albert Poater, Raju Dey
KO^t Bu Mediated Alcohol Dehydrogenation Strategy: Synthesis of 2‐Aryl Quinazolinones
ChemistrySelect, 2024, 9, e202400468
DOI: 10.1002/slct.202400468
OpenAccess: Link
Keywords: Computational chemistry, Joint Exp-Comp, Reaction mechanisms, Sustainable Catalysis

Nicolas Joly, Alessandro Colella, Monique-Edwige Mendy, MbayeDiagne Mbaye, Sylvain Gaillard, Albert Poater, Jean-Luc Renaud
Blue‐Light Induced Iron‐Catalyzed Synthesis of γ,δ‐Unsaturated Ketones
ChemSusChem, 2024, 17, e202301472
DOI: 10.1002/cssc.202301472
OpenAccess: –
Keywords: Excited states, Organometallics, Reaction mechanisms, Sustainable Catalysis

Lucas Pagès, Gracjan Kurpik, Rosa Mollfulleda, RachaAbedAli Abdine, Anna Walczak, Florian Monnier, Marcel Swart, Artur R. Stefankiewicz, Marc Taillefer
Copper‐Catalysed Synthesis of (E)‐Allylic Organophosphorus Derivatives: A Low Toxic, Mild, Economical, and Ligand‐Free Method
ChemSusChem, 2024, 17, e202401450
DOI: 10.1002/cssc.202401450
OpenAccess: Link
Keywords: Computational chemistry, Homogeneous catalysis, Sustainable Catalysis

Andrea Grillo, Yolanda Rusconi, MassimoChristian D’Alterio, Claudio De Rosa, Giovanni Talarico, Albert Poater
Ring Opening Polymerization of Six- and Eight-Membered Racemic Cyclic Esters for Biodegradable Materials
IJMS, 2024, 25, 1647-
DOI: 10.3390/ijms25031647
OpenAccess: Link
Keywords: Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Jianan Xu, Laurent Bonneviot, Yannick Guari, Cyrille Monnereau, Kun Zhang, Albert Poater, Montserrat Rodríguez-Pizarro, Belén Albela
Matrix Effect on Singlet Oxygen Generation Using Methylene Blue as Photosensitizer
Inorganics, 2024, 12, 155-
DOI: 10.3390/inorganics12060155
OpenAccess: Link
Keywords: Chemical bonding, Computational chemistry, Excited states, Sustainable Catalysis

Najoua Choukairi Afailal, Margarida Borrell, Marco Cianfanelli, Miquel Costas
Dearomativesyn -Dihydroxylation of Naphthalenes with a Biomimetic Iron Catalyst
J. Am. Chem. Soc., 2024, 146, 240-249
DOI: 10.1021/jacs.3c08565
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Sustainable Catalysis

Arash Shams, Fereshteh Karkhaneh, Mehrsa Emami, HamidReza Teimoury, HosseinAli Khonakdar, Àngel Oliveras, Roger Monreal-Corona, Anna Pla-Quintana, Albert Poater, Naeimeh Bahri-Laleh
Ziegler-Natta catalyst particle size control in propylene/α-olefin (co)polymerizations
Molecular Catalysis, 2024, 553, 113748-
DOI: 10.1016/j.mcat.2023.113748
OpenAccess: Link
Keywords: Organometallics, Regioselectivite functionalization, Sustainable Catalysis

Qing-Qing Zeng, Qian-Yi Zhou, Carla Calvó-Tusell, Shuang-Yu Dai, Xiang Zhao, Marc Garcia-Borràs, Zhen Liu
Biocatalytic desymmetrization for synthesis of chiral enones using flavoenzymes
Nat. Synth, 2024, [], ASAP-
DOI: 10.1038/s44160-024-00596-4
OpenAccess: –
Keywords: Biocatalysis, Enzyme design, Sustainable Catalysis