Results: 48
Tamás Gazdag, PéterJ. Mayer, PéterPál Kalapos, Tamás Holczbauer, Ouissam El Bakouri, Gábor London
Unsymmetrical Thienopentalenes: Synthesis, Optoelectronic Properties, and (Anti)aromaticity Analysis
ACS Omega, 2022, 7, 8336-8349
DOI: 10.1021/acsomega.1c05618Keywords: Aromaticity, Catalysis, Density Functional Theory
Jordi Vila, Roger Vinardell, Miquel Solà, Anna Pla-Quintana, Anna Roglans
A Rh(I)‐Catalyzed Cascade Cyclization of 1,5‐Bisallenes and Alkynes for the Formation ofcis‐ 3,4‐Arylvinyl Pyrrolidines and Cyclopentanes
Adv Synth Catal, 2022, 364, 206-217
DOI: 10.1002/adsc.202100934Keywords: Catalysis, Cycloaddition, Density Functional Theory, Reaction mechanisms, Sustainable Catalysis
Alessandra Cicolella, Massimo C. D’Alterio, Josep Duran, Sílvia Simon, Giovanni Talarico, Albert Poater
Combining Both Acceptorless Dehydrogenation and Borrowing Hydrogen Mechanisms in One System as Described by DFT Calculations
Adv. Theory Simul., 2022, 5, 2100566
DOI: 10.1002/adts.202100566Keywords: Catalysis, Chemical bonding, Computational chemistry, Reaction mechanisms, Sustainable Catalysis
Felipe Ospina, Kai H. Schülke, Jordi Soler, Alina Klein, Benjamin Prosenc, Marc Garcia-Borràs, Stephan Christian Hammer
Selective Biocatalytic N‐Methylation of Unsaturated Heterocycles
Angew Chem Int Ed, 2022, 61, e202213056
DOI: 10.1002/anie.202213056Keywords: Catalysis, Enzyme design, Sustainable Catalysis
Charafa Souilah, Sergio A.V. Jannuzzi, Derya Demirbas, Sergei Ivlev, Marcel Swart, Serena DeBeer, Alicia Casitas
Synthesis of FeIII and FeIV Cyanide Complexes Using Hypervalent Iodine Reagents as Cyano‐Transfer One‐Electron Oxidants
Angew. Chem. Int. Ed., 2022, 61, e202201699
DOI: 10.1002/anie.202201699Keywords: Catalysis, Computational chemistry, High-valent metal complexes, Organometallics, Homogeneous catalysis
Laia Vicens, Giorgio Olivo, Miquel Costas
Remote Amino Acid Recognition Enables Effective Hydrogen Peroxide Activation at a Manganese Oxidation Catalyst
Angewandte Chemie Intl Edit, 2022, 61, e202114932
DOI: 10.1002/anie.202114932Keywords: Catalysis, Oxidation, Reaction mechanisms, Supramolecular chemistry, Sustainable Catalysis
Arash Shams, Samahe Sadjadi, Josep Duran, Sílvia Simon, Albert Poater, Naeimeh Bahri-Laleh
Effect of support hydrophobicity of halloysite‐based catalysts on the polyalphaolefin hydrofinishing performance
Appl. Organomet. Chem., 2022, 36, e6719
DOI: 10.1002/aoc.6719Keywords: Catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis
Eva Pump, Albert Poater, Naeimeh Bahri-Laleh, Raffaele Credendino, Luigi Serra, Vittorio Scarano, Luigi Cavallo
Regio, stereo and chemoselectivity of 2nd generation Grubbs ruthenium-catalyzed olefin metathesis
Catal. Today, 2022, 388-389, 394-402
DOI: 10.1016/j.cattod.2020.04.071Keywords: Catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis
Albert Poater
Never too late: Stereoselective alkyne semi-hydrogenation by Ir catalysis
Chem Catalysis, 2022, 2, 1245-1246
DOI: 10.1016/j.checat.2022.05.025Keywords: Catalysis, Chemical bonding, Organometallics, Sustainable Catalysis
Michele Tomasini, Lucia Caporaso, Jonathan Trouvé, Jordi Poater, Rafael Gramage-Doria, Albert Poater
Unravelling Enzymatic Features in a Supramolecular Iridium Catalyst by Computational Calculations
Chem-Eur. J., 2022, 28, e202201970
DOI: 10.1002/chem.202201970Keywords: Catalysis, Organometallics, Sustainable Catalysis