Results: 6
Eduardo Jaimes-Romano, Hugo Valdés, Simon Hernández-Ortega, Rosa Mollfulleda, Marcel Swart, David Morales-Morales
C–S Couplings Catalyzed by Ni(II) Complexes of the Type [(NHC)Ni(Cp)(Br)]
Journal of Catalysis, 2023, 426, 247-256
DOI: 10.1016/j.jcat.2023.07.001Keywords: Computational chemistry, Cross-coupling reactions, Homogeneous catalysis, Reaction mechanisms, Spin states
Edison Castro, Albert Artigas, Anna Pla-Quintana, Anna Roglans, Fang Liu, Frank Perez, Agustí Lledó, X.-Y. Zhu, Luis Echegoyen
Enhanced Open-Circuit Voltage in Perovskite Solar Cells with Open-Cage [60]Fullerene Derivatives as Electron-Transporting Materials
Materials, 2019, 12, 1314-
DOI: 10.3390/ma12081314Keywords: Catalysis, Cycloaddition, Fullerenes
Albert Artigas, Jordi Vila, Agustí Lledó, Miquel Solà, Anna Pla-Quintana, Anna Roglans
A Rh-Catalyzed Cycloisomerization/Diels–Alder Cascade Reaction of 1,5-Bisallenes for the Synthesis of Polycyclic Heterocycles
Org. Lett., 2019, 21, 6608-6613
DOI: 10.1021/acs.orglett.9b02032Keywords: Catalysis, Cycloaddition, Density Functional Theory, Organometallics, Reaction mechanisms
Diego Vidal, Miquel Costas, Agustí Lledó
A Deep Cavitand Receptor Functionalized with Fe(II) and Mn(II) Aminopyridine Complexes for Bioinspired Oxidation Catalysis
ACS Catal., 2018, 8, 3667–3672
DOI: 10.1021/acscatal.7b04426Keywords: Catalysis, Confined space, High-valent metal complexes, Oxidation, Supramolecular chemistry
Albert Artigas, Anna Pla-Quintana, Agustí Lledó, Anna Roglans, Miquel Solà
Expeditious Preparation of Open-Cage Fullerenes by Rhodium(I)-Catalyzed [2+2+2] Cycloaddition of Diynes and C60: an Experimental and Theoretical Study
Chem. Eur. J., 2018, 24, 10653-10661
DOI: 10.1002/chem.201802298Keywords: Catalysis, Cycloaddition, Density Functional Theory, Fullerenes, Reaction mechanisms
Albert Artigas, Agustí Lledó, Anna Pla-Quintana, Anna Roglans, Miquel Solà
A Computational Study of the Intermolecular [2+2+2] Cycloaddition of Acetylene and C60 Catalyzed by Wilkinson’s Catalyst
Chem. Eur. J., 2017, 23, 5067–15072
DOI: 10.1002/chem.201702494Keywords: Catalysis, Computational chemistry, Density Functional Theory, Fullerenes, Organometallics