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Results: 1475

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

Margarida Borrell, Sergio Gil-Caballero, Massimo Bietti, Miquel Costas
Site-Selective and Product Chemoselective Aliphatic C–H Bond Hydroxylation of Polyhydroxylated Substrates
ACS Catal., 2020, [], 4702-4709
DOI: 10.1021/acscatal.9b05423
Keywords: Catalysis, Oxidation

Hong Yan, Deshuang Tu, Jordi Poater, Miquel Solà
nido-Cage···π Bond: A Non-covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications
Angew. Chem. Int. Ed.
, 2020, [], ASAP-
DOI: 10.1002/anie.201915290
Keywords: Aromaticity, Chemical bonding, Density Functional Theory

Noy B. Nechmad, Ravindra Phatake, Elisa Ivry, Albert Poater, N. Gabriel Lemcoff
Unprecedented Selectivity of Ruthenium Iodide Benzylidenes in Olefin Metathesis Reactions
Angew. Chem. Int. Ed., 2020, 59, 3539-3543
DOI: 10.1002/anie.201914667
Keywords: Catalysis, Computational chemistry, Cross-coupling reactions, Organometallics, Reaction mechanisms

Miquel Costas, Giorgio Olivo, Giorgio Capocasa, Barbara Ticconi, Osvaldo Lanzalunga, Stefano Di Stefano
Predictable selectivity in remote C‐H Oxidation of steroids via analysis of substrate binding mode
Angew. Chem. Int. Ed., 2020, [], ASAP-
DOI: 10.1002/anie.202003078
Keywords: Catalysis, High-valent metal complexes, Oxidation, Predictive Chemistry, Supramolecular chemistry

Torsten Ampßler, Georg Monsch, Jens Popp, Tobias Riggenmann, Pedro Salvador, Daniel Schröder, Peter Kluefers
Not Guilty on Every Count: the ‘Non‐Innocent’ Nitrosyl Ligand in the Framework of IUPAC’s Oxidation‐State Formalism
Angew. Chem. Int. Ed., 2020, [], ASAP-
DOI: 10.1002/anie.202003122
Keywords: Chemical bonding, Computational chemistry, Real-space analysis, Spectroscopy

Mehrdad Fallah, Naeimeh Bahri-Laleh, Khadijeh Didehban, Albert Poater
Interaction of common cocatalysts in Ziegler–Natta‐catalyzed olefin polymerization
Appl Organometal Chem, 2020, [], e5333
DOI: 10.1002/aoc.5333
Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms

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

Guangchen Li, Tongliang Zhou, Albert Poater, Luigi Cavallo, Steven P. Nolan, Michal Szostak
Buchwald-Hartwig Cross-Coupling of Amides (Transamidation) by Selective N–C(O) Cleavage Mediated by Air- and Moisture-Stable [Pd(NHC)(allyl)Cl] Precatalysts: Catalyst Evaluation and Mechanism
Catal. Sci. Technol., 2020, 10, 710-716
DOI: 10.1039/C9CY02080B
Keywords: Catalysis, Computational chemistry, Cross-coupling reactions, Organometallics, Reaction mechanisms

Vatcharaporn Aomchad, Silvano Del Gobbo, Prapussorn Yingcharoen, Albert Poater, Valerio D’Elia
Exploring the potential of group III salen complexes for the conversion of CO2 under ambient conditions
Catalysis Today, 2020, [], ASAP-
DOI: 10.1016/j.cattod.2020.01.021
Keywords: Catalysis, Computational chemistry, Reaction mechanisms, Sustainable Catalysis