Kimika Teorikoa: Conceptos y Simulaciones en (Foto)Quimica, (Bio)Polimeros y Materiales Avanzados
University of Paris-Saclay
Gif-sur-Yvette, FranciaPublicaciones en colaboración con investigadores/as de University of Paris-Saclay (7)
2023
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Aufbau principle and singlet-triplet gap in spherical Hooke atoms
International Journal of Quantum Chemistry, Vol. 123, Núm. 3
2021
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Coupling Natural Orbital Functional Theory and Many-Body Perturbation Theory by Using Nondynamically Correlated Canonical Orbitals
Journal of Chemical Theory and Computation, Vol. 17, Núm. 12, pp. 7562-7574
2019
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Electronic Structure and Triplet–Triplet Energy Transfer in Artificial Photosynthetic Antennas
Photochemistry and Photobiology, Vol. 95, Núm. 1, pp. 211-219
2018
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Revised Theoretical Model on Enantiocontrol in Phosphoric Acid Catalyzed H-Transfer Hydrogenation of Quinoline
Journal of Organic Chemistry, Vol. 83, Núm. 5, pp. 2779-2787
2017
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Heteroleptic, two-coordinate [M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: Synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state
Dalton Transactions, Vol. 46, Núm. 4, pp. 1163-1171
2007
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Laser-induced nonlinear response in photoassisted resonant electronic transport
Journal of Chemical Physics, Vol. 127, Núm. 15
2002
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Laser-assisted conductance of molecular wires
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 35, Núm. 24, pp. 4981-4988