Prof. Feliu Maseras

2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004

Hidden descriptors: Using statistical treatments to generate better descriptor sets

Morán-González, L.; Maseras, F.

GO TO OPEN ACCESS Artificial Intelligence Chemistry 2024, 2 (1), 100061, DOI: 10.1016/j.aichem.2024.100061.
Diels-Alder Reaction Mechanisms of La@C60 and Gd@C60 Studied Using Density Functional Theory

Cui, C.-X.; He, J.-R.; Qu, L.-B.; Li, C.-X.; Peng, J.-L.; Maseras, F.

Chem.-Eur. J. 2024, DOI: 10.1002/chem.202402572.
Computational study on the mechanism for the synthesis of active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions

Galeas, D. M.; Tolbatov, I.; Colacino, E.; Maseras, F.

Phys. Chem. Chem. Phys. 2024, 26 (37), 24288-24293, DOI: 10.1039/d4cp01613k.
Molecular Hybrid Materials for Selective CO2 Electroreduction to Multicarbon Products

Luo, Z.-M.; Wang, J.-W.; Nikolaou, V.; Garcia-Padilla, E.; Gil-Sepulcre, M.; Benet-Buchholz, J.; Rudiger, O.; Debeer, S.; Maseras, F.; Llobet, A.

GO TO OPEN ACCESS Adv. Energy Mater. 2024, DOI: 10.1002/aenm.202402070.
Straightforward computational determination of energy-transfer kinetics through the application of the Marcus theory

Sole-Daura, A.; Maseras, F.

GO TO OPEN ACCESS Chem. Sci. 2024, DOI: 10.1039/d4sc03352c.
The Subtle Mechanism of Nickel-Photocatalyzed C(sp3)-H Cross-Coupling

Sharma, A. K.; Maseras, F.

Inorg. Chem. 2024, DOI: 10.1021/acs.inorgchem.4c01763.
Switching Selectivity in Borylative Allyl–Allyl Cross-Coupling through Synergistic Catalysis

Vázquez-Galiñanes, N.; Sciortino, G.; Piñeiro-Suárez, M.; Tóth, B. L.; Maseras, F.; Fañanás-Mastral, M.

GO TO OPEN ACCESS J. Am. Chem. Soc. 2024, DOI: 10.1021/jacs.4c07188.
Hexafluoroisopropanol-assisted selective intramolecular synthesis of heterocycles by single-electron transfer

Xie, J.; Zhang, J.; Kasemthaveechok, S.; López-Resano, S.; Cots, E.; Maseras, F.; Pérez-Temprano, M. H.

GO TO OPEN ACCESS Nat. Synth. 2024, DOI: 10.1038/s44160-024-00566-w.
Experimental and Computational Studies on the Interaction of DNA with Hesperetin Schiff Base CuII Complexes

Pisanu, F.; Sykula, A.; Sciortino, G.; Maseras, F.; Lodyga-Chruscinska, E.; Garribba, E.

GO TO OPEN ACCESS Int. J. Mol. Sci. 2024, 25 (10), 5283, DOI: 10.3390/ijms25105283.
Revealing the Mechanistic Features of an Electrosynthetic Catalytic Reaction and the Role of Redox Mediators through DFT Calculations and Microkinetic Modeling

Díaz-Ruiz, M.; Nieto-Rodríguez, M.; Maseras, F.

COVER ChemPhysChem 2024, e202400402, DOI: 10.1002/cphc.202400402.
Introducing 1,3-enyne functionalization by nitrene transfer reaction

Rodríguez, A. M.; Sciortino, G.; Muñoz-Gutierrez, L.; Molina, F.; Maseras, F.; Díaz-Requejo, M. M.; Pérez, P. J.

Chem. Catalysis 2024, 4 (1), 100865, DOI: 10.1016/j.checat.2023.100865.
Ion mobility mass spectrometry uncovers regioselectivity in the carboxylate-assisted C-H activation of palladium N-heterocyclic carbene complexes

Ibáñez-Ibáñez, L.; Mollar-Cuni, A.; Apaloo-Messan, E.; Sharma, A. K.; Mata, JA.; Maseras, F.; Vicent, C.

GO TO OPEN ACCESS Dalton Trans. 2024, 53 (2), 656-665, DOI: 10.1039/d3dt02793g.

Research