JESUS
UGALDE URIBE-ETXEBARRIA
PROFESORADO CATEDRATICO/A DE UNIVERSIDAD
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Donostia International Physics Center
San Sebastián, EspañaPublicaciones en colaboración con investigadoras/es de Donostia International Physics Center (33)
2024
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Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene
Chemical Science, Vol. 15, Núm. 16, pp. 6151-6159
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Unveiling the electronic origin of lanthanide based Metal Organic Framework with ideal spin filtering capacity
Communications Physics, Vol. 7, Núm. 1
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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
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Aufbau principle and singlet-triplet gap in spherical Hooke atoms
International Journal of Quantum Chemistry, Vol. 123, Núm. 3
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Few electron systems confined in Gaussian potential wells and connection to Hooke atoms
International Journal of Quantum Chemistry, Vol. 123, Núm. 5
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Natural orbital functional theory studies of all-metal aromaticity: The Al3−anion
Advances in Quantum Chemistry (Academic Press Inc.), pp. 229-248
2022
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A Chirality-Based Quantum Leap
ACS Nano, Vol. 16, Núm. 4, pp. 4989-5035
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Electron delocalization in clusters
Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications (Elsevier), pp. 19-39
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Influence of Tartrate Ligand Coordination over Luminescence Properties of Chiral Lanthanide-Based Metal–Organic Frameworks
Nanomaterials, Vol. 12, Núm. 22
2020
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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
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Field-Mediated Chirality Information Transfer in Molecule-Nanoparticle Hybrids
Journal of Physical Chemistry C, Vol. 124, Núm. 2, pp. 1560-1565
2019
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Advances in approximate natural orbital functional theory
Advances in Quantum Chemistry (Academic Press Inc.), pp. 155-177
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Chirality Induced Spin Selectivity of Photoexcited Electrons in Carbon-Sulfur [n]Helicenes
ChemPhotoChem, Vol. 3, Núm. 9, pp. 770-777
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Methane activation by alternant [N2O2][rad] + and [N2S2][rad] + cluster radical cations
International Journal of Mass Spectrometry, Vol. 438, pp. 72-77
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Selective Transmission of Phonons in Molecular Junctions with Nanoscopic Thermal Baths
Journal of Physical Chemistry C, Vol. 123, Núm. 15, pp. 9680-9687
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Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical Analysis
ChemPhysChem, Vol. 20, Núm. 19, pp. 2443-2450
2018
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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
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Aromaticity, the Hückel 4 n+2 Rule and Magnetic Current
ChemistrySelect, Vol. 2, Núm. 3, pp. 863-870
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Measuring the Spin-Polarization Power of a Single Chiral Molecule
Small, Vol. 13, Núm. 2
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The trans Effect in Palladium Phosphine Sulfonate Complexes
Journal of Physical Chemistry A, Vol. 121, Núm. 40, pp. 7709-7716