Publicacións en colaboración con investigadores/as de Universidade Do Porto (32)

2024

  1. Classical and Nonclassical Nucleation Mechanisms of Insulin Crystals

    ACS Omega

  2. Ionogels based on protic ionic liquid - lithium salt mixtures

    Journal of Molecular Liquids, Vol. 397

  3. On the molecular mechanisms of H2/N2 uptake in confined ionic liquids: A computational study

    Journal of Molecular Liquids, Vol. 405

  4. Size Matters: A Computational Study of Hydrogen Absorption in Ionic Liquids

    Journal of Chemical Information and Modeling, Vol. 64, Núm. 1, pp. 164-177

  5. Ternary Solid Polymer Electrolytes at the Electrochemical Interface: A Computational Study

    Macromolecules, Vol. 57, Núm. 9, pp. 3921-3936

  6. Thermodynamic Study of Alkylsilane and Alkylsiloxane-Based Ionic Liquids

    Journal of Physical Chemistry B, Vol. 128, Núm. 15, pp. 3742-3754

2023

  1. Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning

    Journal of Chemical Physics, Vol. 158, Núm. 20

  2. Interfacial structure of protic and aprotic ionic liquid-DMSO-Li salt mixtures near charged and neutral electrodes: A Molecular Dynamics study

    Journal of Molecular Liquids, Vol. 386

  3. Ionic liquid/metal salt mixtures at the graphene interface: A density functional theory approach

    Journal of Molecular Liquids, Vol. 392

  4. Mixtures of ethylammonium nitrate and ethylene carbonate: Bulk and interfacial analysis

    Journal of Molecular Liquids, Vol. 385

  5. Thermophysical properties of n-alkyl-ammonium nitrate ionic liquids (n = 2,3,4) pure and water saturated for energy applications

    Journal of Thermal Analysis and Calorimetry, Vol. 148, Núm. 14, pp. 6699-6714

2022

  1. Ecotoxicity of binary mixtures of ILs and inorganic salts of electrochemical interest

    Environmental Science and Pollution Research, Vol. 29, Núm. 17, pp. 24983-24994

  2. Enthalpy of solvation of alkali metal salts in a protic ionic liquid: Effect of cation charge and size

    Journal of Molecular Liquids, Vol. 360

  3. Erratum to: Search for single top-quark production via flavour-changing neutral currents at 8 TeV with the ATLAS detector (The European Physical Journal C, (2016), 76, 2, (55), 10.1140/epjc/s10052-016-3876-4)

    European Physical Journal C

  4. On the physical properties of mixtures of nitrate salts and protic ionic liquids

    Journal of Molecular Liquids, Vol. 350

  5. On the structure and stability of novel cationic DPPC liposomes doped with gemini surfactants

    Journal of Molecular Liquids, Vol. 366

2021

  1. Influence of small quantities of water on the physical properties of alkylammonium nitrate ionic liquids

    International Journal of Molecular Sciences, Vol. 22, Núm. 14

  2. Optimal control of the COVID-19 pandemic: controlled sanitary deconfinement in Portugal

    Scientific Reports, Vol. 11, Núm. 1

2020

  1. Dissection of the key steps of amyloid-β peptide 1–40 fibrillogenesis

    International Journal of Biological Macromolecules, Vol. 164, pp. 2240-2246

2019

  1. synoptReg: An R package for computing a synoptic climate classification and a spatial regionalization of environmental data

    Environmental Modelling and Software, Vol. 118, pp. 114-119