Publications

More filters

Results: 138

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, 3, 1340-1348
DOI: 10.1038/s44160-024-00596-4
OpenAccess: –
Keywords: Biocatalysis, Enzyme design, Sustainable Catalysis

Léo Bettoni, Nicolas Joly, Inès Mendas, Matteo Maria Moscogiuri, Jean-François Lohier, Sylvain Gaillard, Albert Poater, Jean-Luc Renaud
Iron-catalyzed synthesis of substituted 3-arylquinolin-2(1H )-onesvia an intramolecular dehydrogenative coupling of amido-alcohols
Org. Biomol. Chem., 2024, 22, 6933-6940
DOI: 10.1039/D4OB00649F
OpenAccess: –
Keywords: Computational chemistry, Joint Exp-Comp, Organometallics, Reaction mechanisms, Sustainable Catalysis

AbdulRajjak Shaikh, Anna Vidal-López, Artur Brotons-Rufes, Jason J. Pajski, Sadain Zafar, RaisulAwal Mahmood, MuhammadUsman Khan, Albert Poater, Mohit Chawla, Luigi Cavallo
Amino acid ionic liquids as efficient catalysts for CO2 capture: A combined static and dynamic approach
Results in Surfaces and Interfaces, 2024, 14, 100175-
DOI: 10.1016/j.rsurfi.2023.100175
OpenAccess: –
Keywords: Chemical bonding, Computational chemistry, Non-covalent interactions, Reaction mechanisms, Sustainable Catalysis

Andrea Palone, Massimo Bietti, Miquel Costas
Enzymatic and Bio-Inspired Enantioselective Oxidation of Non-Activated C(sp 3)–H Bonds
Synthesis, 2024, [], ASAP-
DOI: 10.1055/a-2403-0760
OpenAccess: –
Keywords: Biocatalysis, Homogeneous catalysis, Oxidation, Regioselectivite functionalization, Sustainable Catalysis

Sergio Fernández, Federico Franco, Marta Martínez Belmonte, Sofia Friães, Beatriz Royo, Josep M. Luis, Julio Lloret-Fillol
Decoding the CO₂ Reduction Mechanism of a Highly Active Organometallic Manganese Electrocatalyst: Direct Observation of a Hydride Intermediate and Its Implications
ACS Catal., 2023, 13, 10375-10385
DOI: 10.1021/acscatal.3c01430
OpenAccess: Link
Keywords: Computational chemistry, Homogeneous catalysis, Joint Exp-Comp, Organometallics, Sustainable Catalysis

Johann B. Kasper, Laia Vicens, C.Maurits de Roo, Ronald Hage, Miquel Costas, Wesley R. Browne
Reversible Deactivation of Manganese Catalysts in Alkene Oxidation and H₂ O₂ Disproportionation
ACS Catal., 2023, 13, 6403-6415
DOI: 10.1021/acscatal.3c00866
OpenAccess: Link
Keywords: Homogeneous catalysis, Oxidation, Reaction mechanisms, Spectroscopy, Sustainable Catalysis

Àlex Díaz-Jiménez, Roger Monreal-Corona, Albert Poater, María Álvarez, Elena Borrego, PedroJ. Pérez, Ana Caballero, Anna Roglans, Anna Pla-Quintana
Intramolecular Interception of the Remote Position of Vinylcarbene Silver Complex Intermediates by C(sp3)−H Bond Insertion
Angew Chem Int Ed, 2023, 62, e202215163
DOI: 10.1002/anie.202215163
OpenAccess: Link
Keywords: Catalysis, Density Functional Theory, Reaction mechanisms, Sustainable Catalysis

Reza Bazvand, Naeimeh Bahri-Laleh, Hossein Abedini, Mehdi Nekoomanesh, Albert Poater
Chemical dealcoholation of MgCl₂ ·EtOH adduct by Al compounds and its effect on the performance of Ziegler–Natta catalysts
Applied Organom Chemis, 2023, 38, e7300
DOI: 10.1002/aoc.7300
OpenAccess: Link
Keywords: Chemical bonding, Computational chemistry, Nanomaterials, Sustainable Catalysis

Sergio Posada-Pérez, Miquel Solà, Albert Poater
Carbon Dioxide Conversion on Supported Metal Nanoparticles: A Brief Review
Catalysts, 2023, 13, 305-
DOI: 10.3390/catal13020305
OpenAccess: Link
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Johann B. Kasper, Pattama Saisaha, Maurits de Roo, Mitchell J. Groen, Laia Vicens, Margarida Borrell, Johannes W. de Boer, Ronald Hage, Miquel Costas, Wesley R. Browne
A Common Active Intermediate in the Oxidation of Alkenes, Alcohols and Alkanes with H₂ O₂ and a Mn(II)/Pyridin‐2‐Carboxylato Catalyst
ChemCatChem, 2023, 15, e202201072
DOI: 10.1002/cctc.202201072
OpenAccess: Link
Keywords: Catalysis, Oxidation, Reaction mechanisms, Spectroscopy, Sustainable Catalysis