Publicaciones en colaboración con investigadores/as de Universidad de Zaragoza (33)

2024

  1. Chemical bonding dictates drastic critical temperature difference in two seemingly identical superconductors

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 121, Núm. 14

  2. Deciphering Pyramidanes: A Quantum Chemical Topology Approach

    ChemPhysChem

  3. How electrons still guard the space: Electron number distribution functions based on QTAIM∩ELF intersections

    Journal of Chemical Physics, Vol. 160, Núm. 14

  4. Questing for homoleptic mononuclear manganese complexes with monodentate O-donor ligands

    Chemical Science, Vol. 15, Núm. 15, pp. 5564-5572

  5. Unveiling the Potential of Haloalkenes as Electron Density Acceptors

    Crystal Growth and Design, Vol. 24, Núm. 13, pp. 5775-5780

2023

  1. Cobalt-catalysed nucleophilic fluorination in organic carbonates

    Dalton Transactions, Vol. 52, Núm. 14, pp. 4585-4594

  2. Exploring the Potential Energy Surface of Pt6 Sub-Nano Clusters Deposited over Graphene

    International Journal of Molecular Sciences, Vol. 24, Núm. 1

2022

  1. Copper-Catalyzed Azide-Alkyne Cycloaddition (CuAAC) by Functionalized NHC-Based Polynuclear Catalysts: Scope and Mechanistic Insights

    Organometallics, Vol. 41, Núm. 15, pp. 2154-2169

2021

  1. Impact of Green Cosolvents on the Catalytic Dehydrogenation of Formic Acid: The Case of Iridium Catalysts Bearing NHC-phosphane Ligands

    Inorganic Chemistry, Vol. 60, Núm. 20, pp. 15497-15508

  2. Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 5, pp. 3531-3542

2020

  1. Carboxylate-Assisted β-(Z) Stereoselective Hydrosilylation of Terminal Alkynes Catalyzed by a Zwitterionic Bis-NHC Rhodium(III) Complex

    ACS Catalysis, Vol. 10, Núm. 13, pp. 7367-7380

  2. Iridium catalysts featuring amine-containing ligands for the dehydrogenation of formic acid

    Journal of Organometallic Chemistry, Vol. 916

  3. β-(Z) Selectivity Control by Cyclometalated Rhodium(III)-Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts

    ACS Catalysis, Vol. 10, Núm. 22, pp. 13334-13351

2019

  1. A bonding evolution theory study on the catalytic Noyori hydrogenation reaction

    Molecular Physics, Vol. 117, Núm. 9-12, pp. 1315-1324

  2. A first step towards quantum energy potentials of electron pairs

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 8, pp. 4215-4223

  3. Mechanistic Insights on the Functionalization of CO2 with Amines and Hydrosilanes Catalyzed by a Zwitterionic Iridium Carboxylate-Functionalized Bis-NHC Catalyst

    ChemCatChem, Vol. 11, Núm. 22, pp. 5524-5535

  4. Valence-Shell Electron-Pair Repulsion Theory Revisited: An Explanation for Core Polarization

    Chemistry - A European Journal, Vol. 25, Núm. 46, pp. 10938-10945

2018

  1. A highly efficient Ir-catalyst for the solventless dehydrogenation of formic acid: The key role of an N-heterocyclic olefin

    Green Chemistry, Vol. 20, Núm. 21, pp. 4875-4879

  2. Building Fluorinated Hybrid Crystals: Understanding the Role of Noncovalent Interactions

    Crystal Growth and Design, Vol. 18, Núm. 11, pp. 6901-6910

  3. On the Role of Ferromagnetic Interactions in Highly Active Mo-Based Catalysts for Ammonia Synthesis

    ChemPhysChem, Vol. 19, Núm. 21, pp. 2843-2847