Argitalpenak (358) Ikertzaileren baten partaidetza izan duten argitalpenak Ikerketa datu erreferentziatuak ikusi.

2025

  1. Precise control of silver nanoplate dimensions and optical properties via pH, EDTA and AMP mediated synthesis

    Journal of Colloid and Interface Science, Vol. 680, pp. 286-297

2024

  1. Bacterial surface display of human lectins in Escherichia coli

    Microbial Biotechnology, Vol. 17, Núm. 2

  2. Development of robust chiroptical systems through spirobifluorenes

    Chirality, Vol. 36, Núm. 1

  3. Differentiating Plasmon-Enhanced Chemical Reactions on AgPd Hollow Nanoplates through Surface-Enhanced Raman Spectroscopy

    ACS Catalysis , Vol. 14, Núm. 9, pp. 6799-6806

  4. EDA-NCI: A Scientific Software to Investigate Non-covalent Interactions Combining Classical Dynamic Simulations and QM/MM Calculations

    Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

  5. Foreword to the special issue on the “Electronic structure: principles and applications (ESPA 2022)” conference

    Theoretical Chemistry Accounts

  6. Molecular Graphene Nanoribbon Junctions

    Journal of the American Chemical Society, Vol. 146, Núm. 6, pp. 3963-3973

  7. Pelargonic acid's interaction with the auxin transporter PIN1: A potential mechanism behind its phytotoxic effects on plant metabolism

    Plant Science, Vol. 349

  8. Performance of density-functional-theory and random-phase-approximation methods on the study of transition-metal clusters: the Tan clusters as an example

    Molecular Physics

  9. Stilbene-pyridazinone hybrids: design, synthesis and in vitro antiplatelet activity screening

    Bioorganic Chemistry, Vol. 150

2023

  1. A computational study of two promising tweezers

    Theoretical Chemistry Accounts, Vol. 142, Núm. 10

  2. A density functional theory study on aurantinidin

    Theoretical Chemistry Accounts, Vol. 142, Núm. 8

  3. Automatic characterization of drug/amino acid interactions by energy decomposition analysis

    Theoretical Chemistry Accounts, Vol. 142, Núm. 6

  4. Between electron delocalization and low-lying excited states of BN-doped aromatic hydrocarbons

    Chemical Physics Letters, Vol. 825

  5. Common Reactivity and Properties of Heme Peroxidases: A DFT Study of Their Origin

    Antioxidants, Vol. 12, Núm. 2

  6. Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis

    Journal of Chemical Information and Modeling, Vol. 63, Núm. 3, pp. 882-897

  7. Electron density analysis on the alpha acidity of nitriles

    Theoretical Chemistry Accounts, Vol. 142, Núm. 9

  8. Histidine-Mediated Synthesis of Chiral Cobalt Oxide Nanoparticles for Enantiomeric Discrimination and Quantification

    Small, Vol. 19, Núm. 26

  9. Metastable Charged Dimers in Organometallic Species: A Look into Hydrogen Bonding between Metallocene Derivatives

    Inorganic chemistry, Vol. 62, Núm. 40, pp. 16523-16537

  10. MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations

    Journal of Computational Chemistry, Vol. 44, Núm. 4, pp. 516-533