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Results: 99

Mattia Vettori, Federico Franco, Sergio Fernández, Guillem Pey, VladMartin Diaconescu, Josep M. Luis, Julio Lloret‐Fillol
Molecular Electrocatalyst Enables Direct Electrochemical Capture and Conversion of CO₂ up to Atmospheric Concentration
Angew Chem Int Ed, 2026, [], ASAP-
DOI: 10.1002/anie.8293935
OpenAccess: Link
Keywords: Computational chemistry, Electron and energy transfer, Homogeneous catalysis, Joint Exp-Comp, Organometallics

Nikos Siakavaras, Arnau Call, Massimo Bietti, Miquel Costas
Desymmetrization of Malonic Monoesters and Malonic Acids via Enantioselective Catalytic C(sp³)─H Oxidation
Angew. Chem. Int. Ed., 2026, , 1433-7851
DOI: 10.1002/anie.1030779
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Ligand design, Oxidation, Sustainable Catalysis

Michele Tomasini, Lucia Caporaso, Martí Gimferrer, Albert Poater
On the use of chemical bonding descriptors in machine learning
Coordination Chemistry Reviews, 2026, 550, 217383-
DOI: 10.1016/j.ccr.2025.217383
OpenAccess: Link
Keywords: Chemical bonding, Computational chemistry, Homogeneous catalysis, Predictive Chemistry, Reaction mechanisms

Filippo Scarchilli, Marco Galeotti, Sergio Sisti, Jacopo Mancini, Andrea Meuti, Martina Cottone, Michela Salamone, Miquel Costas, Massimo Bietti
Chemoselective Oxygenation at C(sp ³ )–H over C═C Bonds Guided by Polarity Enhancement
J. Org. Chem., 2026, [], ASAP-
DOI: 10.1021/acs.joc.5c02759
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Regioselectivite functionalization

Arnau Call, Andrea Palone, JordanP. Liles, Natalie P. Romer, Jacquelyne A. Read, JosepM. Luis, Matthew S. Sigman, Massimo Bietti, Miquel Costas
Understanding Catalytic Enantioselective C–H Bond Oxidation at Nonactivated Methylenes Through Predictive Statistical Modeling Analysis
ACS Catal., 2025, 15, 2110-2123
DOI: 10.1021/acscatal.4c05659
OpenAccess: Link
Keywords: Homogeneous catalysis, Oxidation, Predictive Chemistry, Reaction mechanisms, Regioselectivite functionalization

Marika Di Berto Mancini, C. Maurits de Roo, AndyS. Sardjan, Ronald Hage, Giorgio Olivo, Osvaldo Lanzalunga, Marcel Swart, Wesley R. Browne
A Transient, Highly Reactive Fe(IV)═O Species Revealed Through the Interference by O₂ in the Activation of Organic Peracids by [(N4Py)Fe(II)]²⁺
ACS Catal., 2025, 15, 7482-7495
DOI: 10.1021/acscatal.5c00706
OpenAccess: Link
Keywords: Homogeneous catalysis, Joint Exp-Comp, Oxidation, Reaction mechanisms

Marcel Swart, Isaac Garcia-Bosch
Characterization of Three Intermediates in an Unusual Copper-Dependent Enzyme
ACS Cent. Sci., 2025, 11, 656-658
DOI: 10.1021/acscentsci.5c00732
OpenAccess: Link
Keywords: Homogeneous catalysis, Spectroscopy

Miguel Martinez‐Fernandez, MdBin Yeamin, David Dalmau, Jorge J. Carbó, Albert Poater, Juan V. Alegre‐Requena
Data‐Driven Analysis of Ni‐Catalyzed Semihydrogenations of Alkynes
Adv Synth Catal, 2025, 5, 656-658
DOI: 10.1002/adsc.202401444
OpenAccess: –
Keywords: Computational chemistry, Homogeneous catalysis, Machine learning, Predictive Chemistry, Reaction mechanisms

Cristina Castanyer, Albert Artigas, Miquel Solà, Anna Pla-Quintana, Anna Roglans
On the Functionalization of C₆₀ with Vinylallenes Generatedin situ by Rhodium Catalysis
Adv Synth Catal, 2025, 367, e202401163
DOI: 10.1002/adsc.202401163
OpenAccess: Link
Keywords: Cycloaddition, Homogeneous catalysis, Organometallics, Reaction mechanisms, Regioselectivite functionalization

Najoua Choukairi Afailal, Siu-Chung Chan, Miquel Costas
Manganese‐Catalyzed Enantioselective Dearomative Epoxidation of Naphthalenes with Aqueous Hydrogen Peroxide
Angew Chem Int Ed, 2025, 64, e202504356
DOI: 10.1002/anie.202504356
OpenAccess: Link
Keywords: Aromaticity, High-valent metal complexes, Homogeneous catalysis, Oxidation, Sustainable Catalysis