Publications en collaboration avec des chercheurs de Donostia International Physics Center (33)

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 electronic origin of lanthanide based Metal Organic Framework with ideal spin filtering capacity

    Communications Physics, Vol. 7, Núm. 1

  3. 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