JESUS
UGALDE URIBE-ETXEBARRIA
PROFESORADO CATEDRATICO/A DE UNIVERSIDAD
Publicaciones (293) Publicaciones de JESUS UGALDE URIBE-ETXEBARRIA
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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Foreword, large techno social systems: emergence of social welfare techno systems
Revista internacional de los estudios vascos = Eusko ikaskuntzen nazioarteko aldizkaria = Revue internationale des ètudes basques = International journal on Basque studies, RIEV, Vol. 68, Núm. 2, pp. 11-20
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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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Experiment and Theory Clarify: Sc+ Receives One Oxygen Atom from SO2 to Form ScO+, which Proves to be a Catalyst for the Hidden Oxygen-Exchange with SO2
ChemPhysChem, Vol. 23, Núm. 5
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Influence of Tartrate Ligand Coordination over Luminescence Properties of Chiral Lanthanide-Based Metal–Organic Frameworks
Nanomaterials, Vol. 12, Núm. 22
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Introduction: artificial intelligence its potential and limits
Revista internacional de los estudios vascos = Eusko ikaskuntzen nazioarteko aldizkaria = Revue internationale des ètudes basques = International journal on Basque studies, RIEV, Vol. 67, Núm. 2, pp. 1-10
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Magnetoresistive Single-Molecule Junctions: the Role of the Spinterface and the CISS Effect
Israel Journal of Chemistry, Vol. 62, Núm. 11-12
2021
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Chemical reactivity studies by the natural orbital functional second-order Møller–Plesset (NOF-MP2) method: water dehydrogenation by the scandium cation
Theoretical Chemistry Accounts, Vol. 140, Núm. 6
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Extended enantiopure ortho -phenylene ethylene (o -OPE)-based helical systems as scaffolds for supramolecular architectures: A study of chiroptical response and its connection to the CISS effect
Organic Chemistry Frontiers, Vol. 8, Núm. 18, pp. 5071-5086
2020
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An Ideal Spin Filter: Long-Range, High-Spin Selectivity in Chiral Helicoidal 3-Dimensional Metal Organic Frameworks
Nano Letters, Vol. 20, Núm. 12, pp. 8476-8482
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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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Reply to "comment on 'chirality-induced electron spin polarization and enantiospecific response in solid-state cross-polarization nuclear magnetic resonance'"
ACS Nano
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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