Publications

Authors: Adrien Varet, Cyril Terrioux, Nicolas Prcovic, Albert Artigas, Mouhamet Toure, Yoann Coquerel, Denis Hagebaum-Reignier, Yannick Carissan

Journal of Chemical Information and Modeling, 2026, 66, 14, 8396-8409

DOI: 10.1021/acs.jcim.6c01744

Installing Axial Chirality by Atroposelective C(sp 3 )–H Bond Oxidation

Authors: Margarida Borrell, Marco Galeotti, Laia Vicens, Tomer Mintz, Arnau Call, Doron Pappo, Miquel Costas

Journal of the American Chemical Society, 2026, 148, 20, 21080-21091

DOI: 10.1021/jacs.6c06123

Facile and regioselective B–H bond functionalization of carboranes via cage···I(III) interaction

Authors: Ping Zhang, Hongyuan Ren, Zhaofeng Sun, Hou-Ji Cao, Deshuang Tu, Chang-Sheng Lu, Jordi Poater, Miquel Solà, Hong Yan

Chinese Chemical Letters, 2026, 37, 5, 111617

DOI: 10.1016/j.cclet.2025.111617

ChemBang: Expanding the Chemical Space Around Small Molecules

Authors: Diana Montes‐Grajales, Luca Menestrina, Ricard Garcia‐Serna, Jordi Mestres

Molecular Informatics, 2026, 45, 5

DOI: 10.1002/minf.70036

SAFR: Enabling Fragment-Based Drug Discovery with a Synthetic Binding Pose Data Set

Authors: Joan Cabot-March, Xavier Jalencas, Jordi Mestres

Journal of Chemical Information and Modeling, 2026, 66, 8, 4848-4862

DOI: 10.1021/acs.jcim.6c00217

Multi-addition on nano-encapsulated fullerene derivatives bearing one functional group: Impact of the initial moiety

Authors: Anna Pantelia, Tània Pèlachs, Clara Sabrià, Carles Fuertes-Espinosa, Leandros P. Zorba, Georgios Rotas, Ferran Feixas, Xavi Ribas, Georgios C. Vougioukalakis

Next Materials, 2026, 11, 101612

DOI: 10.1016/j.nxmate.2026.101612

Nonlinear optical properties and intermolecular interactions

Authors: Alex Iglesias-Reguant, Robert Zaleśny, Josep M. Luis

Coordination Chemistry Reviews, 2026, 553, 217566

DOI: 10.1016/j.ccr.2026.217566

Tuning surface phosphorus chemistry in metal-free carbon electrocatalysts for enhanced hydrogen evolution

Authors: Sergio García-Dalí, Javier Quílez-Bermejo, Denis Diatlov, Wouter Marchal, Elien Derveaux, Jimena Castro-Gutiérrez, María T. Izquierdo, Lluís Blancafort, Alain Celzard, Vanessa Fierro

Carbon, 2026, 253, 121425

DOI: 10.1016/j.carbon.2026.121425

Molecular Electrocatalyst Enables Direct Electrochemical Capture and Conversion of CO 2 up to Atmospheric Concentration

Authors: Mattia Vettori, Federico Franco, Sergio Fernández, Guillem Pey, Vlad Martin Diaconescu, Josep M. Luis, Julio Lloret‐Fillol

Angewandte Chemie International Edition, 2026, 65, 10

DOI: 10.1002/anie.8293935

DFT in catalysis: Complex equations for practical computing applications in chemistry

Authors: Artur Brotons Rufes, Sergio Posada Pérez, Albert Poater

Digital Chemical Engineering, 2026, 18, 100285

DOI: 10.1016/j.dche.2025.100285

On the use of chemical bonding descriptors in machine learning

Authors: Michele Tomasini, Lucia Caporaso, Martí Gimferrer, Albert Poater

Coordination Chemistry Reviews, 2026, 550, 217383

DOI: 10.1016/j.ccr.2025.217383

Advancing sustainability: circular economy strategies for fibrous polymer composites

Authors: Tushar Kanti Das, Marcin Jesionek, Muhammad Danish Ali, Sayan Ganguly, Albert Poater

Cleaner Materials, 2026, 19, 100381

DOI: 10.1016/j.clema.2026.100381

Hydride Transfer Limits Hydrogen Evolution Efficiency With Zn Porphyrin Photocatalysts

Authors: Ouissam El Bakouri, Simon T. Clausing, Lluís Blancafort

Chemistry – An Asian Journal, 2026, 21, 5

DOI: 10.1002/asia.70665

Mechanistic Insights into Nickel–NHC-Catalyzed Alkene Isomerization: A Computational Study on Selectivity and Reactivity

Authors: Arslan Ahmad, Roger Monreal-Corona, Arijit Saha, Anna Pla-Quintana, Sergio Posada-Pérez, Albert Poater

Organometallics, 2026, 45, 3, 306-313

DOI: 10.1021/acs.organomet.5c00437

CatalySeed: A Reaction Database for Ruthenium-Catalyzed Ethenolysis of Seed Oils with Applications in Machine Learning

Authors: Albert Poater, Susana P. García-Abellán, Juan V. Alegre-Requena, Bartosz Trzaskowski, J. Pablo Martínez

ACS Catalysis, 2026, 16, 3, 2160-2170

DOI: 10.1021/acscatal.5c06483

Chemoselective Oxygenation at C( sp 3 )–H over C═C Bonds Guided by Polarity Enhancement

Authors: Filippo Scarchilli, Marco Galeotti, Sergio Sisti, Jacopo Mancini, Andrea Meuti, Martina Cottone, Michela Salamone, Miquel Costas, Massimo Bietti

The Journal of Organic Chemistry, 2026, 91, 5, 2121-2133

DOI: 10.1021/acs.joc.5c02759

12 3...105 Next »