Publicaciones en colaboración con investigadores/as de École Polytechnique Fédérale de Lausanne (19)

2021

  1. Expeditious asymmetric synthesis of polypropionates relying on sulfur dioxide-induced c–c bond forming reactions

    Catalysts, Vol. 11, Núm. 11

2019

  1. In situ X-ray diffraction and the internal friction study of the binary yellow 18-carat gold alloy

    Materials Science and Engineering A, Vol. 759, pp. 514-519

  2. Investigation of the order -disorder phase transition series in AuCu by in-situ temperature XRD and mechanical spectroscopy

    Journal of Alloys and Compounds, Vol. 770, pp. 748-754

2017

  1. Advanced capabilities for materials modelling with Quantum ESPRESSO

    Journal of Physics Condensed Matter, Vol. 29, Núm. 46

2012

  1. High zenith angle observations of PKS 2155-304 with the MAGIC-I telescope

    Astronomy and Astrophysics, Vol. 544

2010

  1. BCl3-mediated ene reaction of sulfur dioxide and-unfunctionalized alkenes

    Chemistry - A European Journal, Vol. 16, Núm. 20, pp. 5969-5975

  2. Heterogeneous reaction mechanisms of the reduction of nitric oxide on carbon surfaces: A theoretical analysis

    Theoretical Chemistry Accounts, Vol. 127, Núm. 1, pp. 95-108

  3. Reactivity of a rhenium hydroxo-carbonyl complex toward carbon disulfide: Insights from theory

    Dalton Transactions, Vol. 39, Núm. 3, pp. 874-882

  4. Understanding regioselective cleavage in peptide hydrolysis by a palladium(II) aqua complex: A theoretical point of view

    Journal of Physical Chemistry B, Vol. 114, Núm. 25, pp. 8525-8535

2009

  1. Desulfinylation of prop-2-enesulfinic acid: Experimental results and mechanistic theoretical analysis

    Journal of the American Chemical Society, Vol. 131, Núm. 27, pp. 9547-9561

  2. On the mechanism of cyclization of 5-hexenylchromate intermediates in the reactions of fischer carbene complexes with a lithium enolate and allylmagnesium bromide

    Journal of Organic Chemistry, Vol. 74, Núm. 18, pp. 7059-7066

2008

  1. A theoretical study on the reactivity of a rhenium hydroxo-carbonyl complex towards β-lactams

    European Journal of Inorganic Chemistry, pp. 4547-4554

  2. Quantum calculations on the acid catalyzed rearrangements of norborn-5-en-2-one, 7-oxanorborn-5-en-2-one and 7-azanorborn-5-en-2-one. The electron-releasing effect of homoconjugated carbonyl group

    Applied Catalysis A: General, Vol. 336, Núm. 1-2, pp. 72-78

  3. Ring opening at N1-C2 bond of azetidin-2-ones by a molybdenum hydroxo-carbonyl complex: Evidence from a computational study

    Dalton Transactions, pp. 6427-6434

2007

  1. Experimental and theoretical characterization of the Zn - Zn bond in [Zn2(η5-C5Me5)2]

    Acta Crystallographica Section B: Structural Science, Vol. 63, Núm. 6, pp. 862-868

  2. New organic chemistry of sulfur dioxide

    Accounts of Chemical Research, Vol. 40, Núm. 10, pp. 931-942

2006

  1. Hetero-Diels-Alder and cheletropic additions of sulfur dioxide to conjugated dienes. Experimental facts and theoretical analysis

    Current Organic Chemistry, Vol. 10, Núm. 16, pp. 2007-2036

  2. Mechanism of the diphenyldisulfone-catalyzed isomerization of alkenes. Origin of the chemoselectivity: Experimental and quantum chemistry studies

    Journal of the American Chemical Society, Vol. 128, Núm. 24, pp. 7782-7795

2002

  1. Hetero-Diels-Alder and cheletropic additions of sulfur dioxide to 1,2-dimethylidenecycloalkanes. Determination of thermochemical and kinetics parameters for reactions in solution and comparison with estimates from quantum calculations

    Helvetica Chimica Acta, Vol. 85, Núm. 3, pp. 712-732