GRUPO DE INVESTIGACIÓN EN MATERIALES DE CARBÓN
UGR-Carbon
University of Strasbourg
Estrasburgo, FranciaPublicaciones en colaboración con investigadores/as de University of Strasbourg (12)
2009
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Application of the DFT Method to the Study of Intramolecular Palladium Shifts in Aryl and Polyaryl Complexes
Computational Methods in Catalysis and Materials Science: An Introduction for Scientists and Engineers (Wiley-VCH Verlag GmbH & Co. KGaA), pp. 341-357
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Efficient, nickel-catalysed Kumada-Tamao-Corriu cross-coupling with a calix[4]arene-diphosphine ligand
Advanced Synthesis and Catalysis, Vol. 351, Núm. 9, pp. 1383-1389
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Palladium motion in cyclomeric compounds: A theoretical study
Inorganic Chemistry, Vol. 48, Núm. 23, pp. 11131-11141
2006
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Ethylene oligomerisation and polymerisation with nickel phosphanylenolates bearing electron-withdrawing substituents: Structure-reactivity relationships
Chemistry - A European Journal, Vol. 12, Núm. 20, pp. 5210-5219
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Intramolecular 1,n palladium migrations in polycyclic aromatic hydrocarbons. Palladium(II) versus palladium(iv) mechanisms: A theoretical study
Organometallics, Vol. 25, Núm. 13, pp. 3130-3142
2005
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Can weak interactions modify the binding properties of a strong nitrogen donor? Unusual N-coordination of a phosphoranylidene-substituted pyrazolone unit towards palladium(II) centres: An experimental and theoretical study
Dalton Transactions, pp. 3155-3160
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Controlled synthesis of α-allenic ester and spiro ketone derivatives from tailored α-substituted cycloalkanones through cascade reactions: Exploring the possible reaction pathways by means of semiempirical MO calculations
European Journal of Organic Chemistry, pp. 4346-4358
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Convenient synthesis of nucleoside and isonucleoside analogues
Organic Letters, Vol. 7, Núm. 11, pp. 2161-2164
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Cyclocarbopalladation involving an unusual 1,5-palladium vinyl to aryl shift as termination step: Theoretical study of the mechanism
Journal of the American Chemical Society, Vol. 127, Núm. 19, pp. 7171-7182
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Erratum: Semiempirical MO approach to the mechanism of the NIS-mediated nucleophilic addition to glycals: Multicomponent intermediates as models to tackle reactivity in organic chemistry (Tetrahedron: Asymmetry (2005) 16 (1615) DOI: 10.1016/j.tetasy.2005.03.010)
Tetrahedron Asymmetry
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Semiempirical MO approach to the mechanism of the NIS-mediated nucleophilic addition to glycals: Multicomponent intermediates as models to tackle reactivity in organic chemistry
Tetrahedron Asymmetry, Vol. 16, Núm. 9, pp. 1615-1629
2004
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Thermodynamic and kinetic considerations in the chemoselective O-acylation by mixed anhydrides. A semiempirical MO approach
Tetrahedron Letters, Vol. 45, Núm. 17, pp. 3349-3353