Feliu Maseras - Selected Publications#

1. Hoque, M. A.; Gil-Sepulcre, M.; de Aguirre, A; Elemans, J. A. A. W.; Moonshiram, D.; Matheu, R.; Shi, Y. Y.; Benet-Buchholz, J.; Sala, X.; Malfois, M.; Solano, E.; Lim, J.; Garzon-Manjon, A.; Scheu, C.; Lanza, M. R.; Maseras, F.; Gimbert-Surinach, C.; Llobet, A. Water oxidation electrocatalysis using ruthenium coordination oligomers adsorbed on multiwalled carbon nanotubes. Nat Chem 2020, 12, 11.

2. Harvey, J. N.; Himo, F.; Maseras, F.; Perrin, L. Scope and Challenge of Computational Methods for Studying Mechanism and Reactivity in Homogeneous Catalysis. ACS Catalysis 2019, 9, 6803-6813.

3. Bo, C.; Maseras, F.; Lopez, N. The role of computational results databases in accelerating the discovery of catalysts. Nature Catalysis 2019, 1, 809-810.

4. de Aguirre, A.; Funes-Ardoiz, I.; Maseras, F. Four oxidation states in a single catalytic cycle. Angew. Chem. Int. Ed. 2019, 58, 3898-3902.

5. Besora, M.; Vidossich, P.; Lledós, A.; Ujaque, G.; Maseras, F. Calculation of Reaction Free Energies in Solution: A Comparison of Current Approaches. J. Phys. Chem. A 2018, 122, 1392-1399.

6. Besora, M.; Maseras, F. Microkinetic modeling in homogeneous catalysis. WIREs Comp. Mol. Sci. 2018, 8, e1372.

7. Funes-Ardoiz, I.; Maseras, F. Oxidative Coupling Mechanisms: Current State of Understanding. ACS Catalysis 2018, 8, 1161-1172.

8. García-Cuadrado, D.; Braga, A. A. C.; Maseras, F.; Echavarren, A. M. J. Am. Chem. Soc. 2006, 128, 1066-1067.

9. Maseras, F.; Lledós, A.; Clot, E.; Eisenstein, O. Transition metal polyhydrides: From qualitatie ideas to reliable computational studies. Chem. Rev. 2000, 100, 601-636.

10. Maseras, F.; Morokuma, K. IMOMM: A new integrated ab-initio plus molecular mechanics geometry optimization scheme of equilibrium structures and transition states. J. Comput. Chem. 1995, 16, 1170-1179.