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2017

Alkylation of Ketones Catalyzed by Bifunctional Iron Complexes: From Mechanistic Understanding to Application

Authors: Charlotte Seck, Mbaye Diagne Mbaye, Sébastien Coufourier, Alexis Lator, Jean‐François Lohier, Albert Poater, Thomas R. Ward, Sylvain Gaillard, Jean‐Luc Renaud

ChemCatChem, 2017, 9, 23, 4410-4416

DOI: 10.1002/cctc.201701241

Keywords: Catalysis, Computational chemistry, Organometallics, Predictive Chemistry, Sustainable catalysis

Chemoselective Aliphatic C–H Bond Oxidation Enabled by Polarity Reversal

Authors: Valeria Dantignana, Michela Milan, Olaf Cussó, Anna Company, Massimo Bietti, Miquel Costas

ACS Central Science, 2017, 3, 12, 1350-1358

DOI: 10.1021/acscentsci.7b00532

Keywords: Catalysis, Oxidation, Sustainable catalysis

Supramolecular Recognition Allows Remote, Site‐Selective C−H Oxidation of Methylenic Sites in Linear Amines

Authors: Giorgio Olivo, Giulio Farinelli, Alessia Barbieri, Osvaldo Lanzalunga, Stefano Di Stefano, Miquel Costas

Angewandte Chemie International Edition, 2017, 56, 51, 16347-16351

DOI: 10.1002/anie.201709280

Keywords: Catalysis, High-valent metal complexes, Oxidation, Supramolecular chemistry, Sustainable catalysis

In Silico Switch from Second- to First-Row Transition Metals in Olefin Metathesis: From Ru to Fe and from Rh to Co

Authors: Jesús Luque-Urrutia, Martí Gimferrer, Èric Casals-Cruañas, Albert Poater

Catalysts, 2017, 7, 12, 389

DOI: 10.3390/catal7120389

Keywords: Catalysis, Computational chemistry, Organometallics, Predictive Chemistry, Sustainable catalysis

Role of Conformational Dynamics in the Evolution of Retro-Aldolase Activity

Authors: Adrian Romero-Rivera, Marc Garcia-Borràs, Sílvia Osuna

ACS Catalysis, 2017, 7, 12, 8524-8532

DOI: 10.1021/acscatal.7b02954

Keywords: Catalysis, Computational chemistry, Enzyme design, Method development, Sustainable catalysis

Cycloaddition of CO2 to challenging N-tosyl aziridines using a halogen-free niobium complex: Catalytic activity and mechanistic insights

Authors: Sunatda Arayachukiat, Prapussorn Yingcharoen, Sai V.C. Vummaleti, Luigi Cavallo, Albert Poater, Valerio D’Elia

Molecular Catalysis, 2017, 443, 280-285

DOI: 10.1016/j.mcat.2017.10.023

Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable catalysis

Ruthenium-catalysed decomposition of formic acid: Fuel cell and catalytic applications

Authors: Lorenzo Piola, José A. Fernández-Salas, Fady Nahra, Albert Poater, Luigi Cavallo, Steven P. Nolan

Molecular Catalysis, 2017, 440, 184-189

DOI: 10.1016/j.mcat.2017.06.021

Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable catalysis

Inducing high activity of a thermophilic enzyme at ambient temperatures by directed evolution

Authors: Guangyue Li, Miguel A. Maria-Solano, Adrian Romero-Rivera, Sílvia Osuna, Manfred T. Reetz

Chemical Communications, 2017, 53, 68, 9454-9457

DOI: 10.1039/c7cc05377k

Keywords: Catalysis, Computational chemistry, Enzyme design, Sustainable catalysis

2014

Dynamics of the NbCl5‐Catalyzed Cycloaddition of Propylene Oxide and CO2: Assessing the Dual Role of the Nucleophilic Co‐Catalysts

Authors: 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

Chemistry – A European Journal, 2014, 20, 37, 11870-11882

DOI: 10.1002/chem.201400324

Keywords: Catalysis, Chemical bonding, Computational chemistry, Reaction mechanisms, Sustainable catalysis

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