Publicaciones en colaboración con investigadores/as de Universidad de Oviedo (14)

2008

  1. On the mechanism of gold(I)-catalyzed ring expansion of cyclopropanols: Theoretical calculations uncover a bottle-neck 1,4-H shift and suggest adequate reaction conditions

    European Journal of Organic Chemistry, pp. 3004-3013

2007

  1. A theoretical investigation of the Co(CO)4--catalyzed carbonylative ring expansion of N-benzoyl-2-methylaziridine to β-lactams: Reaction mechanism and effect of substituent at the aziridine C α atom

    Journal of Organic Chemistry, Vol. 72, Núm. 9, pp. 3259-3267

2006

  1. A theoretical study of rhodium(I) catalyzed carbonylative ring expansion of aziridines to β-lactams: Crucial activation of the breaking C-N bond by hyperconjugation

    Journal of Organic Chemistry, Vol. 71, Núm. 19, pp. 7315-7321

  2. Radical ring expansion reactions of methylenecyclopropane derivatives: A theoretical study

    Journal of Organic Chemistry, Vol. 71, Núm. 13, pp. 4803-4809

  3. Theoretical studies on the ring opening of β-lactams: Processes in solution and in enzymatic media

    Current Organic Chemistry, Vol. 10, Núm. 7, pp. 805-821

2005

  1. Relative Gibbs energies in solution through continuum models: Effect of the loss of translational degrees of freedom in bimolecular reactions on gibbs energy barriers

    Journal of Physical Chemistry B, Vol. 109, Núm. 49, pp. 23618-23623

  2. Three-carbon dowd-beckwith ring expansion reaction versus intramolecular 1,5-hydrogen transfer reaction: A theoretical study

    Journal of Organic Chemistry, Vol. 70, Núm. 23, pp. 9417-9423

2004

  1. The Dowd-Beckwith ring expansion: A theoretical study

    Tetrahedron Letters, Vol. 45, Núm. 47, pp. 8691-8694

2003

  1. Theoretical Study of the Fragmentation of the β-Lactam Ring: Ozonolysis of 3-Methoxy-4-methyl-N-(ethylideneamino)-2-azetidinone

    Journal of Physical Chemistry A, Vol. 107, Núm. 47, pp. 10171-10176

2000

  1. Reactivity of 2-(diphenylphosphanyl)thiophenol (HSC6H4PPh2) with ruthenium and osmium carbonyl complexes; breaking of HSC6H4PPh2 into sulfide, phenyl and diphenylphosphanyl ligands on a triruthenium cluster

    European Journal of Inorganic Chemistry, pp. 499-503

1999

  1. Derivative chemistry of [Ru2(μ-bdt)(CO)6], a binuclear ruthenium(I) carbonyl complex containing a bridging benzene-1,2-dithiolate ligand

    European Journal of Inorganic Chemistry, pp. 1133-1139

1998

  1. Binuclear iron(I), ruthenium(I), and osmium(I) hexacarbonyl complexes containing a bridging benzene-1,2-dithiolate ligand. Synthesis, X-ray structures, protonation reactions, and EHMO calculations

    Organometallics, Vol. 17, Núm. 8, pp. 1471-1477

  2. Protonation of triruthenium carbonyl cluster complexes containing a bridging 1-azavinylidene ligand. Experimental results and EHMO calculations

    Journal of Organometallic Chemistry, Vol. 554, Núm. 2, pp. 117-121

1996

  1. Triosmium carbonyl complexes containing bridging ligands derived from ortho-functionalized anilines

    Journal of Organometallic Chemistry, Vol. 525, Núm. 1-2, pp. 133-138