MANUEL ANGEL
ORTUÑO MAQUEDA
Investigador contratado posdoctoral
Publicaciones (66) Publicaciones de MANUEL ANGEL ORTUÑO MAQUEDA
2024
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Aryne-Based Synthesis of Cyclobutadiene-Containing Oligoacenes and Related Extended Biphenylene Derivatives
Advanced Synthesis and Catalysis, Vol. 366, Núm. 4, pp. 961-969
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Combined DFT and Kinetic Monte Carlo Study of UiO-66 Catalysts for γ-Valerolactone Production
Journal of Physical Chemistry C, Vol. 128, Núm. 3, pp. 1049-1057
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Unveiling the Role and Stabilization Mechanism of Cu+ into Defective Ce-MOF Clusters during CO Oxidation
Journal of Physical Chemistry Letters, Vol. 15, Núm. 14, pp. 3962-3967
2023
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Lithium anthraquinoids as catalysts in the ROP of lactide and caprolactone into cyclic polymers
Polymer Chemistry, Vol. 14, Núm. 4, pp. 452-461
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Low Oxidation State Cobalt Center Stabilized by a Covalent Organic Framework to Promote Hydroboration of Olefins
ACS Catalysis, Vol. 13, Núm. 5, pp. 3044-3054
2022
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Chiral Ligands Based on Binaphthyl Scaffolds for Pd-Catalyzed Enantioselective C-H Activation/Cycloaddition Reactions
Journal of the American Chemical Society, Vol. 144, Núm. 47, pp. 21437-21442
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Computational Mechanism of Methyl Levulinate Conversion to γ-Valerolactone on UiO-66 Metal Organic Frameworks
ACS Sustainable Chemistry and Engineering, Vol. 10, Núm. 11, pp. 3567-3573
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Role of Anions in 5-Hydroxymethylfurfural Solvation in Ionic Liquids from Molecular Dynamics Simulations
Advanced Theory and Simulations, Vol. 5, Núm. 12
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Selective furfural hydrogenolysis towards 2-methylfuran by controlled poisoning of Cu-Co catalysts with chlorine
Reaction Chemistry and Engineering, Vol. 8, Núm. 3, pp. 687-698
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Sustainable Synthesis of Silicon Precursors Coupled with Hydrogen Delivery Based on Circular Economy via Molecular Cobalt-Based Catalysts
ACS Sustainable Chemistry and Engineering, Vol. 10, Núm. 50, pp. 16624-16633
2021
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Cyclic polylactide synthesis initiated by a lithium anthraquinoid: Understanding the selectivity through DFT and diffusion NMR
Polymer Chemistry, Vol. 12, Núm. 28, pp. 4083-4092
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Defects as catalytic sites for the oxygen evolution reaction in Earth-abundant MOF-74 revealed by DFT
Catalysis Science and Technology, Vol. 11, Núm. 4, pp. 1443-1450
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How acid can become a dihydrogen complex in water? A DFT study
Journal of Organometallic Chemistry, Vol. 949
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Mechanically Constrained Catalytic Mn(CO)3Br Single Sites in a Two-Dimensional Covalent Organic Framework for CO2Electroreduction in H2O
ACS Catalysis, Vol. 11, Núm. 12, pp. 7210-7222
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Spectroscopic Evidence of Hyponitrite Radical Intermediate in NO Disproportionation at a MOF-Supported Mononuclear Copper Site
Angewandte Chemie - International Edition, Vol. 60, Núm. 14, pp. 7845-7850
2020
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Accelerating role of deaggregation agents in lithium-catalysed hydrosilylation of carbonyl compounds
Dalton Transactions, Vol. 49, Núm. 23, pp. 7932-7937
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Activation of Copper Species on Carbon Nitride for Enhanced Activity in the Arylation of Amines
ACS Catalysis, Vol. 10, Núm. 19, pp. 11069-11080
2019
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Chirality Transfer in Gold Nanoparticles by l -Cysteine Amino Acid: A First-Principles Study
Journal of Physical Chemistry C, Vol. 123, Núm. 22, pp. 13758-13764
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Gas reactions under intrapore condensation regime within tailored metal–organic framework catalysts
Nature Communications, Vol. 10, Núm. 1
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Reaction mechanisms at the homogeneous-heterogeneous frontier: Insights from first-principles studies on ligand-decorated metal nanoparticles
Catalysis Science and Technology, Vol. 9, Núm. 19, pp. 5173-5185