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Brønsted acid catalyzed Morita–Baylis–Hillman reaction: A new mechanistic view for thioureas revealed by ESI-MS(/MS) monitoring and DFT calculations
Chem. Eur. J. 2009, 15, 12460-12469.
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The nature of M-B versus M=B bonds in cationic terminal borylene complexes: Structure and energy analysis in the borylene complexes…
Organometallics 2009, 28, 6442-6449.
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A DFT/MM analysis of the effect of ligand substituents on asymmetric hydrogenation catalyzed by rhodium complexes with phosphine-phosphinite ligands
Can. J. Chem. 2009, 87, 1273-1279. -
Vinyl acetate synthesis on homogeneous and heterogeneous Pd-based catalysts: A theoretical analysis on the reaction mechanisms
J. Phys. Chem. A 2009, 113, 11758-11762. -
The mechanism of the catalytic functionalization of haloalkanes by carbene insertion: An experimental and theoretical study
Organometallics 2009, 28, 5968-5981.
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Oxidative dehydrogenation of an amine group of a macrocyclic ligand in the coordination sphere of a CuII complex
Dalton Trans. 2009, 6013-6020.
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Gold(I)-catalyzed intermolecular hydroalkoxylation of allenes: A DFT study
Org. Lett. 2009, 11, 2237-2240.
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Why is the Suzuki-Miyaura cross-coupling of sp3 carbons in alpha-bromo sulfoxide systems fast and stereoselective? A DFT study on the mechanism
J. Org. Chem. 2009, 74, 4049-4054.
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The role of amide ligands in the stabilization of Pd(II) tricoordinated complexes: Is the Pd–NR2 bond order single or higher?
Theor. Chem. Acc. 2009, 123, 75-84. -
Agostic interactions in alkyl derivatives of sterically hindered tris(pyrazolyl)borate complexes of niobium
Coord. Chem. Rev. 2009, 253, 635-646. -
C-C Reductive elimination in palladium complexes, and the role of coupling additives. A DFT study supported by experiment
J. Am. Chem. Soc. 2009, 131, 3650-3657.
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Protonation of transition-metal hydrides: A not so simple process
Chem. Soc. Rev. 2009, 38, 957-966.
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Structural analysis of zincocenes with substituted cyclopentadienyl rings
Chem. Eur. J. 2009, 15, 924-935.
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C-C coupling constants, JCC, are reliable probes for alpha-C-C agostic structures
Organometallics 2009, 28, 940-943.
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Mechanism of the [(NHC)AuI]-catalyzed rearrangement of allylic acetates. A DFT study
Org. Lett. 2009, 11, 81-84.![Mechanism of the [(NHC)AuI]-catalyzed rearrangement of allylic acetates. A DFT study](https://www.iciq.org/wp-content/uploads/2014/03/Mechanism-of-the-NHCAuI_81.gif)