Effect of Particle Size and Alloying with Gallium and Zinc in Copper Nanoparticles from Ab Initio Molecular Dynamics.
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- Helvetica Chimica Acta, 2025, v. 108, n. 3, p. 1, doi. 10.1002/hlca.202400124
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- Article
Works matching AU Comas‐Vives, Aleix
Results: 18
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How Important Is Backbonding in Metal Complexes Containing N-Heterocyclic Carbenes? Structural and NBO Analysis.
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- European Journal of Inorganic Chemistry, 2011, v. 2011, n. 32, p. 5025, doi. 10.1002/ejic.201100721
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- Article
3
Hydrogenolysis of Polysilanes Catalyzed by Low‐Valent Nickel Complexes.
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- Angewandte Chemie, 2020, v. 132, n. 36, p. 15733, doi. 10.1002/ange.201907525
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- Article
4
CO<sub>2</sub> Hydrogenation on Cu/Al<sub>2</sub>O<sub>3</sub>: Role of the Metal/Support Interface in Driving Activity and Selectivity of a Bifunctional Catalyst.
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- Angewandte Chemie, 2019, v. 131, n. 39, p. 14127, doi. 10.1002/ange.201908060
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- Article
5
Taming Radical Intermediates for the Construction of Enantioenriched Trifluoromethylated Quaternary Carbon Centers.
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- Angewandte Chemie, 2019, v. 131, n. 5, p. 1461, doi. 10.1002/ange.201812793
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- Article
6
Hydrogenolysis of Polysilanes Catalyzed by Low‐Valent Nickel Complexes.
- Published in:
- Angewandte Chemie International Edition, 2020, v. 59, n. 36, p. 15603, doi. 10.1002/anie.201907525
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- Publication type:
- Article
7
CO<sub>2</sub> Hydrogenation on Cu/Al<sub>2</sub>O<sub>3</sub>: Role of the Metal/Support Interface in Driving Activity and Selectivity of a Bifunctional Catalyst.
- Published in:
- Angewandte Chemie International Edition, 2019, v. 58, n. 39, p. 13989, doi. 10.1002/anie.201908060
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- Publication type:
- Article
8
Taming Radical Intermediates for the Construction of Enantioenriched Trifluoromethylated Quaternary Carbon Centers.
- Published in:
- Angewandte Chemie International Edition, 2019, v. 58, n. 5, p. 1447, doi. 10.1002/anie.201812793
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- Publication type:
- Article
9
Cover Feature: Dynamic Pd<sup>II</sup>/Cu<sup>I</sup> Multimetallic Assemblies as Molecular Models to Study Metal–Metal Cooperation in Sonogashira Coupling (Chem. Eur. J. 53/2020).
- Published in:
- Chemistry - A European Journal, 2020, v. 26, n. 53, p. 12082, doi. 10.1002/chem.202003331
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- Article
10
Dynamic Pd<sup>II</sup>/Cu<sup>I</sup> Multimetallic Assemblies as Molecular Models to Study Metal–Metal Cooperation in Sonogashira Coupling.
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- Chemistry - A European Journal, 2020, v. 26, n. 53, p. 12168, doi. 10.1002/chem.202002013
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- Publication type:
- Article
11
CO<sub>2</sub>-to-Methanol Hydrogenation on Zirconia-Supported Copper Nanoparticles: Reaction Intermediates and the Role of the Metal-Support Interface.
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- Angewandte Chemie, 2017, v. 129, n. 9, p. 2358, doi. 10.1002/ange.201610166
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- Publication type:
- Article
12
NMR Signatures of the Active Sites in Sn-β Zeolite.
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- Angewandte Chemie, 2014, v. 126, n. 38, p. 10343, doi. 10.1002/ange.201403905
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- Publication type:
- Article
13
Exploiting two-dimensional morphology of molybdenum oxycarbide to enable efficient catalytic dry reforming of methane.
- Published in:
- Nature Communications, 2020, v. 11, n. 1, p. N.PAG, doi. 10.1038/s41467-020-18721-0
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- Publication type:
- Article
14
The Wacker Process: Inner- or Outer-Sphere Nucleophilic Addition? New Insights from Ab Initio Molecular Dynamics.
- Published in:
- Chemistry - A European Journal, 2010, v. 16, n. 29, p. 8738, doi. 10.1002/chem.200903522
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- Article
15
A Computational Study of the Olefin Epoxidation Mechanism Catalyzed by Cyclopentadienyloxidomolybdenum(VI) Complexes.
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- Chemistry - A European Journal, 2010, v. 16, n. 7, p. 2147, doi. 10.1002/chem.200902873
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- Article
16
Design of an Accurate Machine Learning Algorithm to Predict the Binding Energies of Several Adsorbates on Multiple Sites of Metal Surfaces.
- Published in:
- ChemCatChem, 2020, v. 12, n. 18, p. 4611, doi. 10.1002/cctc.202000517
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- Publication type:
- Article
17
CO<sub>2</sub>-to-Methanol Hydrogenation on Zirconia-Supported Copper Nanoparticles: Reaction Intermediates and the Role of the Metal-Support Interface.
- Published in:
- Angewandte Chemie International Edition, 2017, v. 56, n. 9, p. 2318, doi. 10.1002/anie.201610166
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- Publication type:
- Article
18
NMR Signatures of the Active Sites in Sn-β Zeolite.
- Published in:
- Angewandte Chemie International Edition, 2014, v. 53, n. 38, p. 10179, doi. 10.1002/anie.201403905
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- Publication type:
- Article