Publications

More filters

Results: 476

Àlex Díaz-Jiménez, Anna Roglans, Miquel Solà, Anna Pla-Quintana
Mechanistic insights into the rhodium catalysed dehydrogenative cycloaddition of cyano-yne-allene substrates
Org. Chem. Front., 2024, [], ASAP-
DOI: 10.1039/D4QO00378K
Keywords: Cycloaddition, Homogeneous catalysis, Joint Exp-Comp, Organometallics, Reaction mechanisms

Ricardo Pino-Rios, Rodrigo Báez-Grez, Dariusz W. Szczepanik, Miquel Solá
Designing potentially singlet fission materials with an anti-Kasha behaviour
Phys. Chem. Chem. Phys., 2024, 26, 15386-15392
DOI: 10.1039/D4CP01284D
Keywords: Aromaticity, Chemical bonding, Excited states, Photovoltaic materials, Spin states

Olga A. Stasyuk, Alexander A. Voityuk, Anton J. Stasyuk, Miquel Solà
Photoinduced Electron Transfer in Inclusion Complexes of Carbon Nanohoops
Acc. Chem. Res., 2023, [], ASAP-
DOI: 10.1021/acs.accounts.3c00488
Keywords: Aromaticity, Electron and energy transfer, Excited states, Photovoltaic materials, Supramolecular chemistry

Jordi Vila, Miquel Solà, Thierry Achard, Stéphane Bellemin-Laponnaz, Anna Pla-Quintana, Anna Roglans
Rh(I) Complexes with Hemilabile Thioether-Functionalized NHC Ligands as Catalysts for [2 + 2 + 2] Cycloaddition of 1,5-Bisallenes and Alkynes
ACS Catal., 2023, [], 3201-3210
DOI: 10.1021/acscatal.2c05790
Keywords: Catalysis, Cycloaddition, Density Functional Theory, Reaction mechanisms

Cristina Castanyer, Albert Artigas, Nil Insa-Carreras, Miquel Solà, Anna Pla-Quintana, Anna Roglans
Rh-Catalyzed Cycloaddition of C₆₀ with Enynes: Unveiling the Mechanistic Pathway
Adv. Synth. Catal., 2023, [], []
DOI: 10.1002/adsc.202301189
Keywords: Cycloaddition, Joint Exp-Comp, Organometallics, Photovoltaic materials, Reaction mechanisms

Gibu George, Sergio Posada-Pérez, Albert Poater, Miquel Solà
Density Functional Investigation of the Interaction of H2O with Spinel Li1-xMn2O4 Surfaces: Implications for Aqueous Li-ion Batteries
Applied Surface Science, 2023, [], 155822-
DOI: 10.1016/j.apsusc.2022.155822
Keywords: Chemical bonding, Density Functional Theory, Electron and energy transfer

Gibu George, Albert Poater, Miquel Solà, Sergio Posada-Pérez
Unveiling Oxygen Evolution Reaction on LiCoO₂ Cathode: Insights for the Development of High‐Performance Aqueous Lithium‐ion Batteries
Batteries & Supercaps, 2023, [], ASAP-
DOI: 10.1002/batt.202300452
Keywords: Electron and energy transfer, Nanomaterials, Oxidation

O. A. Stasyuk, A. A. Voityuk, Miquel Solà, A. J. Stasyuk
γ-graphynes with extended polyyne chains for efficient photoinduced electron transfer in complexes with fullerenes
Carbon, 2023, 215, 118460-
DOI: 10.1016/j.carbon.2023.118460
Keywords: Electron and energy transfer, Excited states, Non-covalent interactions, Photovoltaic materials, Supramolecular chemistry

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

Gabriel Merino, Miquel Solà, Israel Fernandez, Cina Foroutan-Nejad, Paolo Lazzeretti, Gernot Frenking, HarryLaurence Anderson, Dage Sundholm, Fernando Cossio, Marina A. Petrukhina, Jishan Wu, Judy Wu, Albeiro Restrepo
Aromaticity: Quo Vadis
Chem. Sci., 2023, 14, 5569-5576
DOI: 10.1039/D2SC04998H
Keywords: Aromaticity, Chemical bonding