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Results: 4

Sergio García-Dalí, Javier Quílez-Bermejo, Denis Diatlov, Wouter Marchal, Elien Derveaux, Jimena Castro-Gutiérrez, María T. Izquierdo, Lluís Blancafort, Alain Celzard, Vanessa Fierro
Tuning surface phosphorus chemistry in metal-free carbon electrocatalysts for enhanced hydrogen evolution
Carbon, 2026, 253, 121425-
DOI: 10.1016/j.carbon.2026.121425
OpenAccess: Link
Keywords: Computational chemistry, Joint Exp-Comp, Sustainable Catalysis

Ouissam El Bakouri, Simon T. Clausing, Lluís Blancafort
Hydride Transfer Limits Hydrogen Evolution Efficiency With Zn Porphyrin Photocatalysts
Chemistry — An Asian Journal, 2026, 21, ASAP-
DOI: 10.1002/asia.70665
OpenAccess: Link
Keywords: Aromaticity, Computational chemistry, Excited states, Homogeneous catalysis

Germano Giuliani, Minyong Li, Xingye Yang, Marco Paolino, Federica Castriconi, Andrea Cappelli, Lluís Blancafort
Tuning sulfur-induced red shift of coelenteramide fluorescence: linking experiment and theory
Journal of Photochemistry and Photobiology A: Chemistry, 2026, 477, 117121-
DOI: 10.1016/j.jphotochem.2026.117121
OpenAccess: –
Keywords: Biomolecules and biomaterials, Computational chemistry, Excited states, Spectroscopy

Lluís Blancafort, Javier Segarra-Martí
Foreword to the special collection “New approaches and applications to excited state computations: high-level potential energy surfaces and dynamics”
Theor Chem Acc, 2026, 145, ASAP-
DOI: 10.1007/s00214-026-03291-z
OpenAccess: –
Keywords: Computational chemistry, Excited states, Theoretical Chemistry, Quantum Chemistry

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