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Microkinetic modelling in computational homogeneous catalysis and beyond
Theor. Chem. Acc. 2023, 142 (10), 99, DOI: 10.1007/s00214-023-03044-2. -
A computational search of the ideal metal fragment for monohapto coordination of dihydrogen
Aust. J. Chem. 2023, 76, 885-892, DOI: 10.1071/CH23121. -
Puzzling Structure of the Key Intermediates in Gold(I) Catalyzed Cyclizations of Enynes and Allenenes
GO TO OPEN ACCESS ChemPlusChem 2023, e202300502, DOI: 10.1002/cplu.202300502. -
Selective C-H Bond Functionalization of Unprotected Indoles by Donor-Acceptor Carbene Insertion
GO TO OPEN ACCESS Adv. Synth. Catal. 2023, DOI: 10.1002/adsc.202300252. -
Gold(I)-Catalyzed 1,6-Enyne Single-Cleavage Rearrangements: The Complete Picture
GO TO OPEN ACCESS ACS Org. Inorg. Au 2023, DOI: 10.1021/acsorginorgau.3c00028. -
Oxidovanadium(IV) sulfate catalyses light-driven C–N bond formation
Mol. Catal 2023, 541, DOI: 10.1016/j.mcat.2023.113054.. -
Charge-controlled Pd catalysis enables the meta-C–H activation and olefination of arenes
GO TO OPEN ACCESS Chem 2023, 9 (4), 1004-1016, DOI: 10.1016/j.chempr.2022.12.019. -
Enantioselective Catalysis with Pyrrolidinyl Gold(I) Complexes: DFT and NEST Analysis of the Chiral Binding Pocket
GO TO OPEN ACCESS JACS Au 2023, DOI: 10.1021/jacsau.3c00159. -
Factors driving the Ni/Cu cooperative asymmetric propargylation of aldimine esters
Chem. Commun. 2023, 59, 6521-6524, DOI: 10.1039/d3cc01309j. -
P-Stereogenic Ir-MaxPHOX: A Step toward Privileged Catalysts for Asymmetric Hydrogenation of Nonchelating Olefins
ACS Catal. 2023, 13 (5), 3020–3035, DOI: 10.1021/acscatal.2c05579. -
Comprehensive Mechanistic Scenario for the Cu-Mediated Asymmetric Propargylic Sulfonylation Forging Tertiary Carbon Stereocenters
J. Am. Chem. Soc. 2023, DOI: 10.1021/jacs.3c00188. -
Generating Fischer-Type Rh-Carbenes with Rh-Carbynoids
GO TO OPEN ACCESS J. Am. Chem. Soc 2023, 145 (9), 4975–4981, DOI: 10.1021/jacs.3c00012.