Publications

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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.
Electrochemical Formation of C2+ Products Steered by Bridge-Bonded *CO Confined by *OH Domains

Ma, H.; Ibáñez-Alé, E.; You, F.; López, N.; Yeo, B.S.

GO TO OPEN ACCESS J. Am. Chem. Soc. 2024, DOI: 10.1021/jacs.4c08755.
C60 Fullerene-Induced Reduction of Metal Ions: Synthesis of C60-Metal Cluster Heterostructures with High Electrocatalytic Hydrogen-Evolution Performance

Yang, W.; Huang, Q.; Yan, Y.; Li, Y.; Xu, T.; Yu, A.; Zhao, Y.; Peng, P.; Wang, Y.; Echegoyen, L.; Li, F.-F.

Angew. Chem. Int. Ed. 2024, DOI: 10.1002/ange.202414149.
Beyond the university walls. The impact on university researchers of bringing science closer to vulnerable groups

Roldan, S. M.; Hernandez-Egia, L. P.; Natividad-Sancho, L.; Burgues-Freitas, A.

Int. J. Educ. Res. 2024, 128, 102473, DOI: 10.1016/j.ijer.2024.102473.
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.
Direct construction of aryl amide N-glycosides from glycosyl oxamic acids via photoredox palladium-catalyzed aminocarbonylations

Xie, X.; Zhao, S.; Han, Y.; Chen, A.; Yang, B.; Zhu, B.; Li, Y.; Zhou, J.; Zhu, F.

Chem. Catalysis 2024, 4 (10), 101109, DOI: 10.1016/j.checat.2024.101109.
Toward an informative comparison of heterogeneous, synthetic, and biological electrocatalysis in energy conversion

Jeuken, L. J. C.; Hetterscheid, D. G. H.; Koper, M. T. M.; Casadevall, C.; Leger, C.; Llobet, A.; Milton, R. D.; Nakamura, R.; Tschulik, K.

Chem. Catalysis 2024, 4 (10), 101098, DOI: 10.1016/j.checat.2024.101098.
Long-Lived Charge Carrier Photogeneration in a Cooperative Supramolecular Double-Cable Polymer

Joseph, J.; Berrocal, J. A.; Casellas, N. M.; Guldi, D. M.; Torres, T.; Garcia-Iglesias, M.

GO TO OPEN ACCESS J. Am. Chem. Soc. 2024, DOI: 10.1021/jacs.4c09637.
Insights into charge dynamics and recombination processes in ternary organic solar cells through photophysical characterization techniques

Mendez, M.; Sanchez, J. G.; Martinez-Ferrero, E.; Palomares, E. J.

Curr. Opin. Colloid Interface Sci. 2024, 74, 101865, DOI: 10.1016/j.cocis.2024.101865.
Stability of [10–12]cycloparaphenylene complexes with pristine fullerenes C76,78,84 and endohedral metallofullerenes M3N@C78,80

Freiberger, M.; Stasyuk, O. A.; Pérez-Ojeda, M. E.; Echegoyen, L. A.; Solà, M.; Drewello, T.

GO TO OPEN ACCESS Nanoscale 2024, DOI: 10.1039/D4NR02287D.

Research