Química
Departamento
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Universitat Autònoma de Barcelona
Barcelona, EspañaPublicaciones en colaboración con investigadores/as de Universitat Autònoma de Barcelona (29)
2023
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Conformationally Restricted β-Sheet Breaker Peptides Incorporating Cyclic α-Methylisoserine Sulfamidates
Chemistry - A European Journal, Vol. 29, Núm. 9
2022
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Mechanistic Studies on the Synthesis of Pyrrolidines and Piperidines via Copper-Catalyzed Intramolecular C.H Amination
Organometallics, Vol. 41, Núm. 9, pp. 1099-1105
2021
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Consecutive Ligand-Based Electron Transfer in New Molecular Copper-Based Water Oxidation Catalysts
Angewandte Chemie - International Edition, Vol. 60, Núm. 34, pp. 18639-18644
2019
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Computational characterization of single-electron transfer steps in water oxidation
Inorganics, Vol. 7, Núm. 3
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Copper-Catalyzed N−F Bond Activation for Uniform Intramolecular C−H Amination Yielding Pyrrolidines and Piperidines
Angewandte Chemie - International Edition, Vol. 58, Núm. 26, pp. 8912-8916
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Enantioselective Synthesis of 3-Heterosubstituted-2-amino-1-ols by Sequential Metal-Free Diene Aziridination/Kinetic Resolution
Chemistry - A European Journal, Vol. 25, Núm. 54, pp. 12628-12635
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External photon radiation treatment for prostate cancer: Uncomplicated and cancer-free control probability assessment of 36 plans
Physica Medica, Vol. 66, pp. 88-96
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Four Oxidation States in a Single Photoredox Nickel-Based Catalytic Cycle: A Computational Study
Angewandte Chemie - International Edition, Vol. 58, Núm. 12, pp. 3898-3902
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GARLEEK: Adding an extra flavor to ONIOM
Journal of Computational Chemistry, Vol. 40, Núm. 2, pp. 381-386
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On the Use of Thermodynamic Cycles for the Calculation of Standard Potentials for the Oxidation of Solid Metals in Solution
ChemPhysChem, Vol. 20, Núm. 1, pp. 159-162
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The Role of Electron-Donor Substituents in the Family of OPBAN-Cu Water Oxidation Catalysts: Effect on the Degradation Pathways and Efficiency
European Journal of Inorganic Chemistry, Vol. 2019, Núm. 15, pp. 2109-2114
2018
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Accelerated Ru–Cu Trinuclear Cooperative C−H Bond Functionalization of Carbazoles: A Kinetic and Computational Investigation
Chemistry - A European Journal, Vol. 24, Núm. 57, pp. 15178-15184
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Computational Characterization of the Mechanism for the Oxidative Coupling of Benzoic Acid and Alkynes by Rhodium/Copper and Rhodium/Silver Systems
Chemistry - A European Journal, Vol. 24, Núm. 47, pp. 12383-12388
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Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway
ACS Catalysis, Vol. 8, Núm. 5, pp. 3733-3742
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Enantioselective Synthesis of Aminodiols by Sequential Rhodium-Catalysed Oxyamination/Kinetic Resolution: Expanding the Substrate Scope of Amidine-Based Catalysis
Chemistry - A European Journal, Vol. 24, Núm. 18, pp. 4635-4642
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Intensity-modulated radiation therapy and volumetric modulated arc therapy versus conventional conformal techniques at high energy: Dose assessment and impact on second primary cancer in the out-of-field region
Reports of Practical Oncology and Radiotherapy, Vol. 23, Núm. 4, pp. 251-259
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Oxidative Coupling Mechanisms: Current State of Understanding
ACS Catalysis, Vol. 8, Núm. 2, pp. 1161-1172
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Palladium-Catalyzed Aerobic Homocoupling of Alkynes: Full Mechanistic Characterization of a More Complex Oxidase-Type Behavior
ACS Catalysis, Vol. 8, Núm. 8, pp. 7495-7506
2017
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Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMenPh(3−n))4]
Chemistry - A European Journal, Vol. 23, Núm. 66, pp. 16728-16733
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Single Electron Transfer Steps in Water Oxidation Catalysis. Redefining the Mechanistic Scenario
ACS Catalysis, Vol. 7, Núm. 3, pp. 1712-1719