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Results: 333

Sunatda Arayachukiat, Prapussorn Yingcharoen, Sai V. C. Vummaleti, Luigi Cavallo, Albert Poater, Valerio D’Elia
Cycloaddition of CO2 to challenging N-tosyl aziridines using a halogen-free niobium complex: Catalytic activity and mechanistic insights
Molecular Catalysis, 2017, 443, 280-285
DOI: 10.1016/j.mcat.2017.10.023
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Eila Serrano-Hervás, Marc Garcia-Borràs, Sílvia Osuna
Exploring the origins of selectivity in soluble epoxide hydrolase from Bacillus megaterium
Org. Biomol. Chem., 2017, 15, 8827-8835
DOI: 10.1039/C7OB01847A
Keywords: Catalysis, Computational chemistry, Enzyme design, Reaction mechanisms

Debasis Das, Jaydeep Adhikary, Aratrika Chakraborty, Sanchari Dasgupta, ShyamalKumar Chattopadhyay, Rafał Kruszynski, Agata Trzesowska-Kruszynska, Stepan Stepanovic, Maja Gruden-Pavlović, Marcel Swart
Unique mononuclear MnII complexes of end-off compartmental Schiff base ligand: experimental and theoretical study on their bio-relevant catalytic promiscuity
Dalton Trans., 2016, 45, 12409-12422
DOI: 10.1039/C6DT00625F
Keywords: Homogeneous catalysis

Ethan A. Hill, Andrew C. Weitz, Elizabeth Onderko, Adrian Romero-Rivera, Yisong Guo, Marcel Swart, Emile L. Bominaar, Michael T. Green, Michael P. Hendrich, David C. Lacy, Andrew Scott Borovik
Reactivity of an FeIV –Oxo Complex with Protons and Oxidants
J. Am. Chem. Soc., 2016, 40, 13143–13146
DOI: 10.1021/jacs.6b07633
Keywords: Homogeneous catalysis

Paolo Pirovano, Erik R. Farquhar, Marcel Swart, Aidan R. McDonald
Tuning the Reactivity of Terminal Nickel(III)–Oxygen Adducts for C–H Bond Activation
J. Am. Chem. Soc., 2016, 138, 14362-14370
DOI: 10.1021/jacs.6b08406
Keywords: Homogeneous catalysis

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

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