Publications (167) Publications auxquelles un chercheur a participé

2024

  1. Spin-Crossing in the (Z)-Selective Alkyne Semihydrogenation Mechanism Catalyzed by Mo3S4 Clusters: A Density Functional Theory Exploration

    Inorganic chemistry, Vol. 63, Núm. 2, pp. 1000-1009

2023

  1. Characterization of a Ferryl Flip in Electronically Tuned Nonheme Complexes. Consequences in Hydrogen Atom Transfer Reactivity

    Angewandte Chemie - International Edition, Vol. 62, Núm. 2

  2. Efficient (Z)-selective semihydrogenation of alkynes catalyzed by air-stable imidazolyl amino molybdenum cluster sulfides

    Inorganic Chemistry Frontiers, Vol. 10, Núm. 6, pp. 1786-1794

  3. Fe(ii) complexes of pyridine-substituted thiosemicarbazone ligands as catalysts for oxidations with hydrogen peroxide

    Dalton Transactions, Vol. 52, Núm. 40, pp. 14606-14612

2022

  1. Base-Free Catalytic Hydrogen Production from Formic Acid Mediated by a Cubane-Type Mo3S4Cluster Hydride

    Inorganic Chemistry, Vol. 61, Núm. 42, pp. 16730-16739

2021

  1. Activation of Dichloromethane by a Bis-NHC Cp*Ru Complex: Formation of a Pentamethyl(chloromethyl)cyclopentadiene Ligand

    Organometallics, Vol. 40, Núm. 15, pp. 2405-2408

  2. Bifunctional W/NH Cuboidal Aminophosphino W3S4 Cluster Hydrides: The Puzzling Behaviour behind the Hydridic-Protonic Interplay

    European Journal of Inorganic Chemistry, Vol. 2021, Núm. 42, pp. 4377-4382

  3. Catalytic Hydrogenation of Azobenzene in the Presence of a Cuboidal Mo3S4Cluster via an Uncommon Sulfur-Based H2Activation Mechanism

    ACS Catalysis, Vol. 11, Núm. 2, pp. 608-614

  4. Spin State Tunes Oxygen Atom Transfer towards FeIVO Formation in FeII Complexes

    Chemistry - A European Journal, Vol. 27, Núm. 15, pp. 4946-4954

2020

  1. Benchmarking of DFT methods using experimental free energies and volumes of activation for the cycloaddition of alkynes to cuboidal Mo3S4 clusters

    International Journal of Quantum Chemistry, Vol. 120, Núm. 19

  2. Computational studies of the solid-state molecular organometallic (SMOM) chemistry of Rh σ-alkane complexes

    Structure and Bonding (Springer Science and Business Media Deutschland GmbH), pp. 183-228

  3. Identification of the initial molecular changes in response to circulating angiogenic cells-mediated therapy in critical limb ischemia

    Stem Cell Research and Therapy, Vol. 11, Núm. 1

  4. Involving the students in the european projects through the focus group dynamic: The case of aimed – aiming to educate by promoting the academic dimension of erasmus+

    EDULEARN20 Proceedings: 12th International Conference on Education and New Learning TechnologiesOnline Conference. 6-7 July, 2020. (IATED Academy), pp. 6715

  5. Salen‑manganese complexes for controlling ROS damage: Neuroprotective effects, antioxidant activity and kinetic studies

    Journal of Inorganic Biochemistry, Vol. 203

  6. The Mechanism of the Intramolecular Hydrocarbyl Metathesis within a Planar Triruthenium Cluster: Combining Core Flexibility with Hydride Mobility

    Chemistry - A European Journal, Vol. 26, Núm. 61, pp. 13880-13889

2019

  1. Cobalt(II) Pentaaza-Macrocyclic Schiff Base Complex as Catalyst for Light-Driven Hydrogen Evolution in Water: Electrochemical Generation and Theoretical Investigation of the One-Electron Reduced Species

    Inorganic Chemistry, Vol. 58, Núm. 14, pp. 9043-9056

  2. Mn(III) biomimetic models: catalase activity and kinetic studies of their reaction with H2O2 and TBHP

    XXV Encontro Galego-Portugués de Química: 20 al 22 de noviembre de 2019, Edificio Cinc. Ciudad de la Cultura. Santiago de Compostela-Galicia (España). Libro de resúmenes

  3. Proton-assisted air oxidation mechanisms of iron(ii) bis-thiosemicarbazone complexes at physiological pH: a kinetico-mechanistic study

    Dalton Transactions, Vol. 48, Núm. 44, pp. 16578-16587

2018

  1. Acid-Triggered O−O Bond Heterolysis of a Nonheme FeIII(OOH) Species for the Stereospecific Hydroxylation of Strong C−H Bonds

    Chemistry - A European Journal, Vol. 24, Núm. 20, pp. 5331-5340

  2. Coordination Chemistry of Cu2+ Complexes of Small N-Alkylated Tetra-azacyclophanes with SOD Activity

    Inorganic Chemistry, Vol. 57, Núm. 17, pp. 10961-10973