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Results: 1627

Roman Gajda, Albert Poater, Artur Brotons-Rufes, Sebastian Planer, Krzysztof Woźniak, Karol Grela, Anna Kajetanowicz, JohnArthur Joule
Aminomethylpyridinequinones as new ligands for PEPPSI-type complexes
Arkivoc, 2021, 2021, 138-156
DOI: 10.24820/ark.5550190.p011.451
Keywords: Catalysis, Chemical bonding, Computational chemistry, Cross-coupling reactions, Organometallics

Barbara Ticconi, Giorgio Capocasa, Andrea Cerrato, Stefano Di Stefano, Andrea Lapi, Beatrice Marincioni, Giorgio Olivo, Osvaldo Lanzalunga
Insight into the chemoselective aromaticvs. side-chain hydroxylation of alkylaromatics with H2 O2 catalyzed by a non-heme imine-based iron complex
Catal. Sci. Technol., 2021, 11, 171-178
DOI: 10.1039/D0CY01868F
Keywords: Catalysis

Shiyi Yang, Tongliang Zhou, Albert Poater, Luigi Cavallo, StevenP. Nolan, Michal Szostak
Suzuki–Miyaura cross-coupling of esters by selective O–C(O) cleavage mediated by air- and moisture-stable [Pd(NHC)(μ-Cl)Cl]2 precatalysts: catalyst evaluation and mechanism
Catal. Sci. Technol., 2021, 11, 3189-3197
DOI: 10.1039/D1CY00312G
Keywords: Catalysis, Computational chemistry, Cross-coupling reactions, Organometallics, Reaction mechanisms

Anja Knorrscheidt, Jordi Soler, Nicole Hünecke, Pascal Püllmann, Marc Garcia-Borràs, MartinJ. Weissenborn
Simultaneous screening of multiple substrates with an unspecific peroxygenase enabled modified alkane and alkene oxyfunctionalisations
Catal. Sci. Technol., 2021, 11, 6058-6064
DOI: 10.1039/d0cy02457k
Keywords: Catalysis, Computational chemistry, Enzyme design

Vatcharaporn Aomchad, Silvano Del Gobbo, Prapussorn Yingcharoen, Albert Poater, Valerio D’Elia
Exploring the potential of group III salen complexes for the conversion of CO2 under ambient conditions
Catalysis Today, 2021, 375, 324-334
DOI: 10.1016/j.cattod.2020.01.021
Keywords: Catalysis, Computational chemistry, Reaction mechanisms, Sustainable Catalysis

Oscar González-Belman, Artur Brotons-Rufes, Michele Tomasini, Laura Falivene, Lucia Caporaso, Jose Jiménez-Halla, Albert Poater
Towards Dual-Metal Catalyzed Hydroalkoxylation of Alkynes
Catalysts, 2021, 11, 704
DOI: 10.3390/catal11060704
Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms

Sílvia Escayola, Albert Poater, Alvaro Muñoz-Castro, Miquel Solà
An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene
Chem. Commun., 2021, 57, 3087-3090
DOI: 10.1039/D1CC00593F
Keywords: Aromaticity, Chemical bonding, Electron delocalization, Supramolecular chemistry

Ricard López-Coll, Rubén Álvarez-Yebra, Ferran Feixas, Agustí Lledó
Comprehensive Characterization of the Self‐folding Cavitand  Dynamics
Chem. Eur. J., 2021, 27, 10099-10106
DOI: 10.1002/chem.202100563
Keywords: Computational chemistry, Confined space, Nanocages, Supramolecular chemistry

Massimo C. D’Alterio, Èric Casals-Cruañas, Nikolaos V. Tzouras, Giovanni Talarico, Steven P. Nolan, Albert Poater
Mechanistic Aspects of the Palladium‐Catalyzed Suzuki‐Miyaura Cross‐Coupling Reaction
Chem. Eur. J., 2021, 27, 13481-13493
DOI: 10.1002/chem.202101880
Keywords: Catalysis, Computational chemistry, Cross-coupling reactions, Organometallics, Reaction mechanisms

JuanPablo Martínez, Miquel Solà, Albert Poater
Predictive catalysis in olefin metathesis with Ru‐based catalysts with annulated C60 fullerenes in the N‐heterocyclic carbenes
Chem. Eur. J., 2021, 27, 18074-18083
DOI: 10.1002/chem.202100840
Keywords: Catalysis, Fullerenes, Organometallics, Predictive Chemistry, Reaction mechanisms

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