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Results: 303

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
Keywords: Chemical bonding, Computational chemistry, Nanomaterials, Sustainable Catalysis

Lole Jurado, Jerome Esvan, Ligia A. Luque-Álvarez, Luis F. Bobadilla, José A. Odriozola, Sergio Posada-Pérez, Albert Poater, Aleix Comas-Vives, M. Rosa Axet
Highly dispersed Rh single atoms over graphitic carbon nitride as a robust catalyst for the hydroformylation reaction
Catal. Sci. Technol., 2023, 13, 1425-1436
DOI: 10.1039/d2cy02094g
Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms

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
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Kevin Bevernaege, Nikolaos V. Tzouras, Albert Poater, Luigi Cavallo, Steven P. Nolan, Fady Nahra, Johan M. Winne
Site selective gold(i )-catalysed benzylic C–H aminationvia an intermolecular hydride transfer to triazolinediones
Chem. Sci., 2023, 14, 9787-9794
DOI: 10.1039/D3SC03683A
Keywords: Chemical bonding, Computational chemistry, Homogeneous catalysis, Joint Exp-Comp, Organometallics

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
Keywords: Catalysis, Oxidation, Reaction mechanisms, Spectroscopy, Sustainable Catalysis

Anna Vidal-López, Sergio Posada-Pérez, Miquel Solà, Albert Poater
Au Single Metal Atom for Carbon Dioxide Reduction Reaction
Chemistry, 2023, 5, 1395-1406
DOI: 10.3390/chemistry5020095
Keywords: Computational chemistry, Homogeneous catalysis, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis

Julia Heitkämper, Sergio Posada, Sílvia Escayola, Miquel Solà, Johannes Kästner, Albert Poater
A non expected alternative Ni(0) Species in the Ni‐Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1,5‐Diaza‐3,7‐diphosphacyclooctane Ligand
Chemistry A European J, 2023, 29, e202300193
DOI: 10.1002/chem.202300193
Keywords: Aromaticity, Catalysis, Computational chemistry, Organometallics, Reaction mechanisms

Benon P. Maliszewski, Tahani A. C. A. Bayrakdar, Perrine Lambert, Lama Hamdouna, Xavier Trivelli, Luigi Cavallo, Albert Poater, Marek Beliš, Olivier Lafon, Kristof Van Hecke, Dominic Ormerod, Catherine S. J. Cazin, Fady Nahra, Steven P. Nolan
Pt^II −N‐Heterocyclic Carbene Complexes in Solvent‐Free Alkene Hydrosilylation
Chemistry A European J, 2023, 29, e202301259
DOI: 10.1002/chem.202301259
Keywords: Chemical bonding, Computational chemistry, Homogeneous catalysis, Organometallics, Reaction mechanisms

Judith Sala, Lorena Capdevila, Cristina Berga, Araceli de Aquino, Laura Rodréguez, Sílvia Simon, Xavi Ribas
Luminescent Chiral Furanol‐PAHs via Straightforward Ni‐Catalysed C_sp2 −F Functionalization: Mechanistic Insights into the Scholl Reaction
Chemistry A European J, 2023, 30, e202303200
DOI: 10.1002/chem.202303200
Keywords: Computational chemistry, Homogeneous catalysis, Nanomaterials, Reaction mechanisms, Spectroscopy

Sethuraman Muthuramalingam, Marappan Velusamy, Swati Singh Rajput, Mehboob Alam, Ramasamy Mayilmurugan
Nickel(II) Complexes of Tripodal Ligands as Catalysts for Fixation of Atmospheric CO₂ as Organic Carbonates
Chemistry, An Asian Journal, 2023, 18, e202201204
DOI: 10.1002/asia.202201204
Keywords: Catalysis, Method development, Reaction mechanisms, Spectroscopy, Sustainable Catalysis