Publications in collaboration with researchers from Universidad de Zaragoza (65)

2024

  1. Ferromagnetism on an atom-thick & extended 2D metal-organic coordination network

    Nature Communications, Vol. 15, Núm. 1

  2. Modulated spin dynamics of [Co2] coordination helicates via differential strand composition

    Dalton Transactions

2023

  1. Floquet engineering with quantum optimal control theory

    New Journal of Physics, Vol. 25, Núm. 4

  2. Fluorescence Amplification of Unsaturated Oxazolones Using Palladium: Photophysical and Computational Studies

    Inorganic Chemistry, Vol. 62, Núm. 25, pp. 9792-9806

  3. High-Impact PLA in Compatibilized PLA/PCL Blends: Optimization of Blend Composition and Type and Content of Compatibilizer

    Macromolecular Materials and Engineering, Vol. 308, Núm. 12

2022

  1. Charge transfer in ultrafast isomerization of acetylene ions

    Physical Review A, Vol. 106, Núm. 3

  2. Floquet engineering the band structure of materials with optimal control theory

    Physical Review Research, Vol. 4, Núm. 3

  3. Influence of the Nonprotein Amino Acid Mimosine in Peptide Conformational Propensities from Novel Amber Force Field Parameters

    Journal of Physical Chemistry B, Vol. 126, Núm. 16, pp. 2959-2967

  4. Slow magnetic relaxation in Fe(ii) m-terphenyl complexes

    Dalton Transactions, Vol. 51, Núm. 47, pp. 18118-18126

  5. Unparalleled selectivity and electronic structure of heterometallic [LnLn′Ln] molecules as 3-qubit quantum gates

    Chemical Science

  6. Unravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 42, pp. 25918-25929

2021

  1. Single and double charge transfer in the Ne2++He collision within time-dependent density-functional theory

    Physical Review A, Vol. 103, Núm. 3

  2. Structure and properties of reactively extruded opaque post-consumer recycled PET

    Polymers, Vol. 13, Núm. 20

2020

  1. Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

    Journal of Chemical Physics, Vol. 152, Núm. 12

2019

  1. Optimal control theory for quantum electrodynamics: an initial state problem

    European Physical Journal B, Vol. 92, Núm. 10

  2. Surface state tunable energy and mass renormalization from homothetic quantum dot arrays

    Nanoscale, Vol. 11, Núm. 48, pp. 23132-23138

2018

  1. Propagators for the Time-Dependent Kohn-Sham Equations: Multistep, Runge-Kutta, Exponential Runge-Kutta, and Commutator Free Magnus Methods

    Journal of Chemical Theory and Computation, Vol. 14, Núm. 6, pp. 3040-3052

  2. Supramolecular-Enhanced Charge Transfer within Entangled Polyamide Chains as the Origin of the Universal Blue Fluorescence of Polymer Carbon Dots

    Journal of the American Chemical Society, Vol. 140, Núm. 40, pp. 12862-12869

2017

  1. Precise engineering of quantum dot array coupling through their barrier widths

    Nature Communications, Vol. 8, Núm. 1

  2. Symmetry, Shape, and Energy Variations in Frontier Molecular Orbitals at Organic/Metal Interfaces: The Case of F4TCNQ

    Journal of Physical Chemistry C, Vol. 121, Núm. 51, pp. 28412-28419