Publicaciones en colaboración con investigadoras/es de Donostia International Physics Center (32)

2024

  1. Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene

    Chemical Science, Vol. 15, Núm. 16, pp. 6151-6159

  2. Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effects

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 16, pp. 12619-12627

2023

  1. Aufbau principle and singlet-triplet gap in spherical Hooke atoms

    International Journal of Quantum Chemistry, Vol. 123, Núm. 3

  2. Few electron systems confined in Gaussian potential wells and connection to Hooke atoms

    International Journal of Quantum Chemistry, Vol. 123, Núm. 5

  3. Natural orbital functional theory studies of all-metal aromaticity: The Al3−anion

    Advances in Quantum Chemistry (Academic Press Inc.), pp. 229-248

2022

  1. A Chirality-Based Quantum Leap

    ACS Nano, Vol. 16, Núm. 4, pp. 4989-5035

  2. Electron delocalization in clusters

    Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications (Elsevier), pp. 19-39

  3. Influence of Tartrate Ligand Coordination over Luminescence Properties of Chiral Lanthanide-Based Metal–Organic Frameworks

    Nanomaterials, Vol. 12, Núm. 22

2020

  1. Enantiospecific Response in Cross-Polarization Solid-State Nuclear Magnetic Resonance of Optically Active Metal Organic Frameworks

    Journal of the American Chemical Society, Vol. 142, Núm. 42, pp. 17989-17996

  2. Field-Mediated Chirality Information Transfer in Molecule-Nanoparticle Hybrids

    Journal of Physical Chemistry C, Vol. 124, Núm. 2, pp. 1560-1565

2019

  1. Advances in approximate natural orbital functional theory

    Advances in Quantum Chemistry (Academic Press Inc.), pp. 155-177

  2. Chirality Induced Spin Selectivity of Photoexcited Electrons in Carbon-Sulfur [n]Helicenes

    ChemPhotoChem, Vol. 3, Núm. 9, pp. 770-777

  3. Methane activation by alternant [N2O2][rad] + and [N2S2][rad] + cluster radical cations

    International Journal of Mass Spectrometry, Vol. 438, pp. 72-77

  4. Selective Transmission of Phonons in Molecular Junctions with Nanoscopic Thermal Baths

    Journal of Physical Chemistry C, Vol. 123, Núm. 15, pp. 9680-9687

  5. Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical Analysis

    ChemPhysChem, Vol. 20, Núm. 19, pp. 2443-2450

2018

  1. Chirality-Induced Electron Spin Polarization and Enantiospecific Response in Solid-State Cross-Polarization Nuclear Magnetic Resonance

    ACS Nano, Vol. 12, Núm. 11, pp. 11426-11433

2017

  1. Aromaticity, the Hückel 4 n+2 Rule and Magnetic Current

    ChemistrySelect, Vol. 2, Núm. 3, pp. 863-870

  2. Measuring the Spin-Polarization Power of a Single Chiral Molecule

    Small, Vol. 13, Núm. 2

  3. The trans Effect in Palladium Phosphine Sulfonate Complexes

    Journal of Physical Chemistry A, Vol. 121, Núm. 40, pp. 7709-7716

2016

  1. Cholesterol-Ceramide Interactions in Phospholipid and Sphingolipid Bilayers As Observed by Positron Annihilation Lifetime Spectroscopy and Molecular Dynamics Simulations

    Langmuir, Vol. 32, Núm. 21, pp. 5434-5444