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Results: 158

Mireia Rovira, Marta Soler, Imma Güell, Ming-Zheng Wang, Laura Gómez, Xavi Ribas
Orthogonal Discrimination among Functional Groups in Ullmann-Type C–O and C–N Couplings
J. Org. Chem., 2016, 81, 7315-7325
DOI: 10.1021/acs.joc.6b01035
Keywords: Catalysis, Cross-coupling reactions, Organometallics

Paolo Pirovano, Erik R. Farquhar, Marcel Swart, Anthony J. Fitzpatrick, Grace G. Morgan, Aidan R. McDonald
Characterization and Reactivity of a Terminal Nickel(III)-Oxygen Adduct
Chem-Eur J., 2015, 21, 3785-3790
DOI: 10.1002/chem.201406485
Keywords: Homogeneous catalysis

Valerio D’Elia, Amylia A. Ghani, Antoine Monassier, Julien Sofack-Kreutzer, Jeremie D. A. Pelletier, Markus Drees, Sai V. C. Vummaleti, Albert Poater, Luigi Cavallo, Mirza Cokoja, Jean-Marie Basset, Fritz.E. Kühn
Dynamics of the NbCl5 -Catalyzed Cycloaddition of Propylene Oxide and CO2 : Assessing the Dual Role of the Nucleophilic Co-Catalysts
Chem. Eur. J. , 2014, 20, 11870-11882
DOI: 10.1002/chem.201400324
Keywords: Catalysis, Chemical bonding, Computational chemistry, Reaction mechanisms, Sustainable Catalysis

Laura Orian, Marcel Swart, F. Matthias Bickelhaupt
Indenyl Effect Due to Metal Slippage? Computational Exploration of Rhodium-Catalyzed Acetylene [2+2+2] Cyclotrimerization
ChemPhysChem, 2014, 15, 219-228
DOI: 10.1002/cphc.201300934
Keywords: Homogeneous catalysis

Marcel Swart
A change in the oxidation state of iron: scandium is not innocent
Chem. Commun., 2013, 49, 6650-6652
DOI: 10.1039/c3cc42200c
Keywords: Spin states, Homogeneous catalysis

Mikael P. Johansson, Marcel Swart
Subtle effects control the polymerisation mechanism in α-diimine iron catalysts
Dalton Trans., 2011, 40, 8419-8428
DOI: 10.1039/C1DT10045A
Keywords: Homogeneous catalysis

Sílvia Osuna, Marcel Swart, Miquel Solà
On the Mechanism of Action of Fullerene Derivatives in Superoxide Dismutation
Chem-Eur J., 2010, 16, 3207-3214
DOI: 10.1002/chem.200902728
Keywords: Homogeneous catalysis

Sílvia Simon, Mariona Sodupe, Joan Bertran
Water-catalyzed isomerization of the glycine radical cation. From hydrogen-atom transfer to proton-transport catalysis
Theor Chem Acc, 2004, 111, 217-222
DOI: 10.1007/s00214-003-0523-6
Keywords: Ab initio theory, Catalysis, Chemical bonding, Computational chemistry, Reaction mechanisms