Publicaciones en las que colabora con Mercedes Boronat (24)

2024

  1. A MOF-supported Pd1–Au1 dimer catalyses the semihydrogenation reaction of acetylene in ethylene with a nearly barrierless activation energy

    Nature Catalysis, Vol. 7, Núm. 4, pp. 452-463

2023

  1. Ag2(0) dimers within a thioether-functionalized MOF catalyze the CO2 to CH4 hydrogenation reaction

    Scientific reports, Vol. 13, Núm. 1, pp. 10376

2021

  1. Soluble/MOF-Supported Palladium Single Atoms Catalyze the Ligand-, Additive-, and Solvent-Free Aerobic Oxidation of Benzyl Alcohols to Benzoic Acids

    Journal of the American Chemical Society, Vol. 143, Núm. 6, pp. 2581-2592

2018

  1. Confined Pt1 1+ Water Clusters in a MOF Catalyze the Low-Temperature Water–Gas Shift Reaction with both CO2 Oxygen Atoms Coming from Water

    Angewandte Chemie - International Edition, Vol. 57, Núm. 52, pp. 17094-17099

  2. Making Nanosized CHA Zeolites with Controlled Al Distribution for Optimizing Methanol-to-Olefin Performance

    Chemistry - A European Journal, Vol. 24, Núm. 55, pp. 14631-14635

  3. Synthesis of Densely Packaged, Ultrasmall Pt02 Clusters within a Thioether-Functionalized MOF: Catalytic Activity in Industrial Reactions at Low Temperature

    Angewandte Chemie - International Edition, Vol. 57, Núm. 21, pp. 6186-6191

2017

  1. The MOF-driven synthesis of supported palladium clusters with catalytic activity for carbene-mediated chemistry

    Nature Materials, Vol. 16, Núm. 7, pp. 760-766

2006

  1. Predicting the activity of single isolated Lewis acid sites in solid catalysts

    Chemistry - A European Journal, Vol. 12, Núm. 27, pp. 7067-7077

2005

  1. A multisite molecular mechanism for Baeyer-Villiger oxidations on solid catalysts using environmentally Friendly H2O2 as oxidant

    Chemistry - A European Journal

2004

  1. Reaction Intermediates in Acid Catalysis by Zeolites: Prediction of the Relative Tendency to Form Alkoxides or Carbocations as a Function of Hydrocarbon Nature and Active Site Structure

    Journal of the American Chemical Society, Vol. 126, Núm. 10, pp. 3300-3309

2001

  1. Cluster and periodic calculations of the ethene protonation reaction catalyzed by theta-1 zeolite: Influence of method, model size, and structural constraints

    Chemistry - A European Journal, Vol. 7, Núm. 6, pp. 1295-1303

  2. Influence of the local geometry of zeolite active sites and olefin size on the stability of alkoxide intermediates

    Journal of Physical Chemistry B, Vol. 105, Núm. 45, pp. 11169-11177

  3. The skeletal isomerization of but-1-ene catalyzed by theta-1 zeolite

    Physical Chemistry Chemical Physics, Vol. 3, Núm. 15, pp. 3235-3239

2000

  1. Ab initio and density-functional theory study of zeolite-catalyzed hydrocarbon reactions: Hydride transfer, alkylation and disproportionation

    Physical Chemistry Chemical Physics, Vol. 2, Núm. 14, pp. 3327-3333

1999

  1. Cluster and periodic ab initio study of the ethane-ethene hydride transfer reaction catalyzed by acid chabazite. Is the cluster model able to describe accurately the host-guest interactions?

    Physical Chemistry Chemical Physics, Vol. 1, Núm. 4, pp. 537-543

  2. Theoretical study of bimolecular reactions between carbenium ions and paraffins: The proposal of a common intermediate for hydride transfer, disproportionation, dehydrogenation, and alkylation

    Journal of Physical Chemistry B, Vol. 103, Núm. 37, pp. 7809-7821

1998

  1. A theoretical study of the mechanism of the hydride transfer reaction between alkanes and alkenes catalyzed by an acidic zeolite

    Journal of Physical Chemistry A, Vol. 102, Núm. 48, pp. 9863-9868

  2. Theoretical study of the mechanism of zeolite-catalyzed isomerization reactions of linear butenes

    Journal of Physical Chemistry A, Vol. 102, Núm. 6, pp. 982-989

1997

  1. Theoretical study of the N-H tautomerism in free base porphyrin

    Journal of Molecular Structure: THEOCHEM, Vol. 390, Núm. 1-3, pp. 149-156

  2. Theoretical study on the mechanism of the hydride transfer reaction between alkanes and alkylcarbenium ions

    Journal of Physical Chemistry B, Vol. 101, Núm. 48, pp. 10069-10074