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Results: 53

Sébastien Coufourier, Quentin Gaignard Gaillard, Jean-François Lohier, Albert Poater, Sylvain Gaillard, Jean-Luc Renaud
Hydrogenation of CO₂ , Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes
ACS Catal., 2020, 10, 2108-2116
DOI: 10.1021/acscatal.9b04340
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Laia Vicens, Giorgio Olivo, Miquel Costas
Rational Design of Bioinspired Catalysts for Selective Oxidations
ACS Catal., 2020, 10, 8611-8631
DOI: 10.1021/acscatal.0c02073
Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis

Mònica Rodríguez, Gemma Font, Joel Nadal-Moradell, Alberto Hernán-Gómez, Miquel Costas
Iron‐Catalyzed Intermolecular Functionalization of Non‐Activated Aliphatic C−H Bondsvia Carbene Transfer
Adv. Synth. Catal., 2020, 362, 5116-5123
DOI: 10.1002/adsc.202000817
Keywords: Catalysis, Organometallics, Reaction mechanisms, Sustainable Catalysis

Massimo Christian D’Alterio, Yu-Chao Yuan, Christian Bruneau, Giovanni Talarico, Rafael Gramage-Doria and Albert Poater
Base-controlled, product switch in the ruthenium-catalyzed protodecarbonylation of phthalimides: a mechanistic study
Catal. Sci. Technol., 2020, 10, 180-186
DOI: 10.1039/C9CY02047K
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Prapussorn Yingcharoen, Wuttichai Natongchai, Albert Poater, Valerio D’Elia
Intertwined chemistry of hydroxyl hydrogen-bond donors, epoxides and isocyanates in the organocatalytic synthesis of oxazolidinonesversus isocyanurates: rational catalytic investigation and mechanistic understanding
Catal. Sci. Technol. , 2020, 10, 5544-5558
DOI: 10.1039/D0CY00987C
Keywords: Catalysis, Computational chemistry, Cycloaddition, Reaction mechanisms, Sustainable Catalysis

Jesús A. Luque-Urrutia, Miquel Solà, Albert Poater
The influence of the pH on the reaction mechanism of water oxidation by a Ru(bda) catalyst
Catal. Today, 2020, 358, 278-283
DOI: 10.1016/j.cattod.2019.12.005
Keywords: Catalysis, Computational chemistry, Oxidation, Reaction mechanisms, Sustainable Catalysis

BrendaN. Sánchez-Eguía, Joan Serrano-Plana, Anna Company, Miquel Costas
Catalytic O₂ activation with synthetic models of α-ketoglutarate dependent oxygenases
Chem. Commun., 2020, 56, 14369-14372
DOI: 10.1039/D0CC05942K
Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis

Walid Al Maksoud, Aya Saidi, ManojaK. Samantaray, Edy Abou-Hamad, Albert Poater, Samy Ould-Chikh, Xianrong Guo, Erjia Guan, Tao Ma, Bruce C. Gates, Jean-Marie Basset
Docking of tetra-methyl zirconium to the surface of silica: a well-defined pre-catalyst for conversion of CO₂ to cyclic carbonates
Chem. Commun., 2020, 56, 3528-3531
DOI: 10.1039/C9CC07383C
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Abdul Rajjak Shaikh, Muhammad Ashraf, Turki AlMayef, Mohit Chawla, Albert Poater, Luigi Cavallo
Amino acid ionic liquids as potential candidates for CO2 capture: Combined density functional theory and molecular dynamics simulations
Chemical Physics Letters, 2020, 745, 137239-
DOI: 10.1016/j.cplett.2020.137239
Keywords: Catalysis, Chemical bonding, Organometallics, Reaction mechanisms, Sustainable Catalysis

Valeria Dantignana, Anna Company, Miquel Costas
Catalytic Oxidation of Primary C–H Bonds in Alkanes with Bioinspired Catalysts
Chimia (AARAU), 2020, 74, 470-477
DOI: 10.2533/chimia.2020.470
Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis