Publicacions en què col·labora amb RAMON LOPEZ RODRIGUEZ (48)

2024

  1. Elucidation of the Pyridine Ring-Opening Mechanism of 2,2′-Bipyridine or 1,10-Phenanthroline Ligands at Re(I) Carbonyl Complexes

    Inorganic Chemistry, Vol. 63, Núm. 19, pp. 8593-8603

2023

  1. Near-infrared absorption of fused core-modified expanded porphyrins for dye-sensitized solar cells

    The Journal of chemical physics, Vol. 158, Núm. 16

2022

  1. Computational Design of Rhenium(I) Carbonyl Complexes for Anticancer Photodynamic Therapy

    Inorganic Chemistry, Vol. 61, Núm. 1, pp. 439-455

2020

  1. Addition of Re-Bonded Nucleophilic Ligands to Activated Alkynes: A Theoretical Rationalization

    European Journal of Inorganic Chemistry, Vol. 2020, Núm. 3, pp. 269-280

  2. Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights

    Catalysis Science and Technology, Vol. 10, Núm. 12, pp. 4084-4098

  3. Influence of the nucleophilic ligand on the reactivity of carbonyl rhenium(I) complexes towards methyl propiolate: A computational chemistry perspective

    Molecules, Vol. 25, Núm. 18

2019

  1. Assessment of BODIPY-Oxasmaragdyrin Dyads for Dye-Sensitized Solar Cells: Aromaticity, Photosensitization Capability, and Charge Transport

    Journal of Physical Chemistry C, Vol. 123, Núm. 32, pp. 19362-19375

  2. Gold(I)-catalyzed intermolecular dioxolane addition to alkynes: the role of water

    Theoretical Chemistry Accounts, Vol. 138, Núm. 5

  3. Regiochemistry Control by Bipyridine Substituents in the Deprotonation of ReI and MoII N-Alkylimidazole Complexes

    Chemistry - A European Journal, Vol. 25, Núm. 39, pp. 9253-9265

  4. [Cp2Mo(OH)(OH2)]+-Catalyzed Hydrolysis of Mono- and Difunctional Ethers: Theoretical Understanding of Their Divergent Reactivity

    European Journal of Inorganic Chemistry, Vol. 2019, Núm. 24, pp. 2924-2932

2017

  1. Insights on the Reactivity of Terminal Phosphanido Metal Complexes toward Activated Alkynes from Theoretical Computations

    Inorganic Chemistry, Vol. 56, Núm. 11, pp. 6652-6661

  2. Phosphinous Acid-Assisted Hydration of Nitriles: Understanding the Controversial Reactivity of Osmium and Ruthenium Catalysts

    Chemistry - A European Journal, Vol. 23, Núm. 60, pp. 15210-15221

2016

  1. Activation of Aromatic C−C Bonds of 2,2’-Bipyridine Ligands

    Chemistry - A European Journal, Vol. 22, Núm. 48, pp. 17160-17164

  2. Nucleophilic Additions to Coordinated 1,10-Phenanthroline: Intramolecular, Intermolecular, Reversible, and Irreversible

    Chemistry - A European Journal, Vol. 22, Núm. 50, pp. 17972-17975

  3. Tautomerization mechanism and spectral properties of porphyrin–glucose complexes as models of antibacterial material

    Theoretical Chemistry Accounts, Vol. 135, Núm. 5

  4. The role of CuCl on the mechanism of dibenzo-p-dioxin formation from poly-chlorophenol precursors: A computational study

    Chemosphere, Vol. 145, pp. 77-82

2015

  1. Understanding the hydrolysis mechanism of ethyl acetate catalyzed by an aqueous molybdocene: A computational chemistry investigation

    Inorganic Chemistry, Vol. 54, Núm. 4, pp. 1223-1231

  2. Unmasking the Action of Phosphinous Acid Ligands in Nitrile Hydration Reactions Catalyzed by Arene-Ruthenium(II) Complexes

    Chemistry - A European Journal, Vol. 21, Núm. 47, pp. 16874-16886

  3. Unraveling the intramolecular cyclization mechanism of oxidized tryptophan in aqueous solution as a function of pH

    Organic and Biomolecular Chemistry, Vol. 13, Núm. 32, pp. 8695-8702

2014

  1. An ab initio analysis of the structure of l-tryptophan tautomers in microhydrated environments, in water and in hydrophobic solvents

    Computational and Theoretical Chemistry, Vol. 1034, pp. 17-25