Results: 3
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.8293935OpenAccess: LinkKeywords: Computational chemistry, Electron and energy transfer, Homogeneous catalysis, Joint Exp-Comp, Organometallics
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.2025.217383OpenAccess: LinkKeywords: 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.5c02759OpenAccess: LinkKeywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Regioselectivite functionalization