Publications

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Recent developments in nickel-catalyzed cross-coupling reactions via C–O functionalization

Odena, C.; Talavera, L.; Martín, R.

Revista de la Societat Catalana de Química 2021, 86-100, DOI: 10.2436/20.2003.01.128.
Photolytic Activation of Late-Transition-Metal–Carbon Bonds and Their Reactivity toward Oxygen

Ho, S. K. Y.; Lam, F. Y. T.; Aguirre, A.; Maseras, F.; White, A. J. P.; Britovsek, G. J. P.

GO TO OPEN ACCESS Organometallics 2021, 40 (24), 4077–4091, DOI: 10.1021/acs.organomet.1c00487.
Bifunctional Oxygen Electrocatalysis on Mixed Metal Phthalocyanine-Modified Carbon Nanotubes Prepared via Pyrolysis

Kumar, Y.; Kibena-Põldsepp, E.; Kozlova, J.; Rähn, M.; Treshchalov, Kikas, A.; Kisand, V., Aruväli, J.; Tamm A.; Douglin, J. C.; Folkman, S. J.; Gelmetti, I.; Garcés-Pineda, F. A.; Galán-Mascarós, J. R.; Dekel, D. R; Tammeveski, K..

GO TO OPEN ACCESS ACS Appl. Mater. Interfaces 2021, 13 (35), 41507–41516, DOI: 10.1021/acsami.1c06737.
Rigidified Cavitand Hosts in Water: Bent Guests, Shape Selectivity, and Encapsulation

Yang, J. M.; Chen, Y. Q.; Yu, Y.; Ballester, P.; Rebek J. Jr.

J. Am. Chem. Soc. 2021, 143 (46), 19517–19524, DOI: 10.1021/jacs.1c09226.
Computational insights into metal-catalyzed asymmetric hydrogenation

Besora, M.; Maseras, F.

BOOK CHAPTER In: "Metal-catalyzed Asymmetric Hydrogenation: Evolution and Prospect", Elsevier, 2021, 6, 68, 385-426, (ISBN: 978-0-12-824569-9)DOI: 10.1016/bs.acat.2021.08.006.
Benchmarking Catalysts for Formic Acid/Formate Electrooxidation

Folkman, S. J.; González-Cobos, J.; Giancola, S.; Sánchez-Molina, I.; Galán-Mascarós, J. R.

GO TO OPEN ACCESS Molecules 2021, 26 (16), 4756, DOI: 10.3390/molecules26164756.
Understanding the Binding Properties of N-heterocyclic Carbenes through BDE Matrix App

Morán-González, L.; Rodríguez-Guerra Pedregal, J.; Besora, M.; Maseras, F.

Eur. J. Inorg. Chem. 2021, 3, e202100932, DOI: 10.1002/ejic.202100932.
Determining Structure-Activity Relationships in Oxide Derived Cu-Sn Catalysts During CO2 Electroreduction Using X-Ray Spectroscopy

Pardo Pérez, L. C.; Arndt, A.; Stojkovikj, S.; Ahmet, I. Y.; Arens, J. T.; Dattila, F.; Wendt, R.; Guilherme Buzanich, A.; Radtke, M.; Davies, V.; Höflich, K.; Köhnen, E.; Tockhorn,P.; Golnak R.; Xiao, J.; Schuck, G.; Wollgarten, M.; López, N.; Mayer, M. T.

GO TO OPEN ACCESS Adv. Energy Mater. 2021, 2103328, DOI: 10.1002/aenm.202103328.
The Role of Cation Acidity on the Competition between Hydrogen Evolution and CO2 Reduction on Gold Electrodes

Monteiro, M. C. O.; Dattila, F.; López, N.; Koper, M. T. M.

COVER GO TO OPEN ACCESS J. Am. Chem. Soc. 2021, 144 (4), 1589–1602, DOI: 10.1021/jacs.1c10171.
Seeking the Optimal Descriptor for SN2 Reactions through Statistical Analysis of Density Functional Theory Results

Morán-González, L.; Besora, M.; Maseras, F.

J. Org. Chem. 2021, 87 (1), 363–372, DOI: 10.1021/acs.joc.1c02387.

Research