Facultad de Química
Centro
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Donostia International Physics Center
San Sebastián, EspañaPublicaciones en colaboración con investigadoras/es de Donostia International Physics Center (1.238)
2024
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Advances in approximate natural orbital functionals: From historical perspectives to contemporary developments
Advances in Quantum Chemistry (Academic Press Inc.)
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All-Purpose Measure of Electron Correlation for Multireference Diagnostics
Journal of Chemical Theory and Computation, Vol. 20, Núm. 2, pp. 721-727
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Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
The Journal of chemical physics, Vol. 160, Núm. 21
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Artificial Photosynthases: Single-Chain Nanoparticles with Manifold Visible-Light Photocatalytic Activity for Challenging “in Water” Organic Reactions
Journal of the American Chemical Society, Vol. 146, Núm. 21, pp. 14397-14403
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Artificial Spores as Multi-Functional Biocatalysts to Perform Biosynthetic Cascades
Advanced Functional Materials
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Atomically precise step grids for the engineering of helical states
Physical Review B, Vol. 109, Núm. 12
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Atomistic molecular simulations of Aβ-Zn conformational ensembles
Proteins: Structure, Function and Bioinformatics, Vol. 92, Núm. 1, pp. 134-144
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Biallelic variants in SNUPN cause a limb girdle muscular dystrophy with myofibrillar-like features
Brain, Vol. 147, Núm. 8, pp. 2867-2883
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CO and O2 Interaction with Kinked Pt Surfaces
ACS Catalysis , Vol. 14, Núm. 8, pp. 6319-6327
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Circularly Polarized Photoluminescence in Chiral Hybrid Organic–Inorganic Manganese Halide Perovskites: From Bulk Materials to Exfoliated Flakes
Advanced Optical Materials, Vol. 12, Núm. 21
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Cool Concrete Incorporating Carbonated Periwinkle Shell: A Sustainable Solution for Mitigating Urban Heat Island Effects
ACS Sustainable Chemistry and Engineering, Vol. 12, Núm. 5, pp. 1911-1917
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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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Dehydration of alcohols catalyzed by copper(ii) sulfate: type II dyotropic reactions and stepwise mechanisms
Organic and Biomolecular Chemistry, Vol. 22, Núm. 9, pp. 1800-1811
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Demonstration of event position reconstruction based on diffusion in the NEXT-white detector
European Physical Journal C, Vol. 84, Núm. 5
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Design, characterization and installation of the NEXT-100 cathode and electroluminescence regions
Journal of Instrumentation, Vol. 19, Núm. 2
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Dynamics of Single-Chain Nanoparticles under Crowding: A Neutron Spin Echo Study
Macromolecules, Vol. 57, Núm. 10, pp. 4706-4716
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Electrical control of magnetism by electric field and current-induced torques
Reviews of Modern Physics, Vol. 96, Núm. 1
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Enantiopure [6]-Azairidahelicene by Dynamic Kinetic Resolution of a Configurationally Labile [4]-Helicene
Angewandte Chemie - International Edition, Vol. 63, Núm. 26
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Error estimation in current noisy quantum computers
Quantum Information Processing, Vol. 23, Núm. 5
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Excited States by Coupling Piris Natural Orbital Functionals with the Extended Random-Phase Approximation
Journal of Chemical Theory and Computation, Vol. 20, Núm. 5, pp. 2140-2151