662 results on '"Toro-Labbé, Alejandro"'
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2. Foreword for the Festschrift on the occasion of the 65th birthday of Professor Pratim Kumar Chattaraj
3. Using reactivity predictors for enhancing the electrocatalytic activity of MN4 molecular catalysts for the oxygen reduction reaction: The role of the N-pyridinium functional group in the porphyrazine-derivative ligands
4. Complexation of AAPH (2,2′-azobis(2-methylpropionamidine) dihydrochloride) with cucurbit[7]uril enhances the yield of AAPH-derived radicals
5. Elucidating the electronic synergetic effects in heteroatomic doped FeN4-C-N-R (R= -F, -Cl, -Br) oxygen reduction catalysts
6. Digging on the mechanism of some Diels–Alder reactions: the role of the reaction electronic flux
7. Chemiluminescence emission in Fenton reaction driven by 1,2-dihydroxybenzenes: Mechanistic approaches using 4-substituted ligands
8. Mapping experimental and theoretical reactivity descriptors of fe macrocyclic complexes deposited on graphite or on multi walled carbon nanotubes for the oxidation of thiols: Thioglycolic acid oxidation
9. First-principles study of hybrid nanostructures formed by deposited phthalocyanine/porphyrin metal complexes on phosphorene
10. New guanidine-borane adducts: An experimental and theoretical approach
11. Reactivity descriptors for Cu bis-phenanthroline catalysts for the hydrogen peroxide reduction reaction
12. Studies on the solvatochromic effect and NLO response in new symmetric bimetallic Rhenium compounds
13. Complexes between 2,2'-azobis(2-methylpropionamidine) dihydrochloride (AAPH) and cucurbit[n]uril hosts modulate the yield and fate of photolytically-generated AAPH radicals
14. Molecular conductance versus inductive effects of axial ligands on the electrocatalytic activity of self-assembled iron phthalocyanines: The oxygen reduction reaction
15. The transition state region in nonsynchronous concerted reactions.
16. Cover Picture: Electron Spin‐Dependent Electrocatalysis for the Oxygen Reduction Reaction in a Chiro‐Self‐Assembled Iron Phthalocyanine Device
17. Titelbild: Electron Spin‐Dependent Electrocatalysis for the Oxygen Reduction Reaction in a Chiro‐Self‐Assembled Iron Phthalocyanine Device (Angew. Chem. 4/2024)
18. Internal Rotation of Disilane and Related Molecules:a Density Functional Study
19. B(C6F5)3 Promotes the catalytic activation of [N,S]-ferrocenyl nickel complexes in ethylene oligomerization
20. Electron Spin‐Dependent Electrocatalysis for the Oxygen Reduction Reaction in a Chiro‐Self‐Assembled Iron Phthalocyanine Device
21. Basis Electronic Activity of Molecular Systems. A Theory of Bond Reactivity.
22. Complexation of AAPH (2,2′-azobis(2-methylpropionamidine) dihydrochloride) with cucurbit[7]uril enhances the yield of AAPH-derived radicals
23. Aluminum and iron doped graphene for adsorption of methylated arsenic pollutants
24. Conceptual density functional theory: status, prospects, issues
25. Theoretical study of glycine amino acid adsorption on graphene oxide
26. Electron Spin‐Dependent Electrocatalysis for the Oxygen Reduction Reaction in a Chiro‐Self‐Assembled Iron Phthalocyanine Device.
27. A DFT study of hydrogen and methane activation by B(C6F5)3/P(t-Bu)3 and Al(C6F5)3/P(t-Bu)3 frustrated Lewis pairs
28. Electronic Stress as a Guiding Force for Chemical Bonding
29. Digging on the Mechanism of Some Diels-Alder Reactions. The Role of the Reaction Electronic Flux
30. High-Level Coupled-Cluster Study on Substituent Effects in H2 Activation by Low-Valent Aluminyl Anions
31. Hydrogenation and hydration of carbon dioxide: a detailed characterization of the reaction mechanisms based on the reaction force and reaction electronic flux analyses
32. An extension of the Marcus equation: the Marcus potential energy function
33. Reaction electronic flux and its role in DNA intramolecular proton transfers
34. Understanding chemical binding using the Berlin function and the reaction force
35. How Does Electronic Activity Drive Chemical Reactions? Insights from the Reaction Electronic Flux for the Conversion of Dopamine into Norepinephrine
36. The mechanics of charge-shift bonds: A perspective from the electronic stress tensor
37. Enhanced reactivity of Lys182 explains the limited efficacy of biogenic amines in preventing the inactivation of glucose-6-phosphate dehydrogenase by methylglyoxal
38. Characterization of Rotational Isomerization Processes in Monorotor Molecules
39. Cover Feature: Fe3O4 Templated Pyrolyzed Fe−N−C Catalysts. Understanding the role of N‐Functions and Fe3C on the ORR Activity and Mechanism (ChemElectroChem 11/2022)
40. On the Mechanisms of Chemical Reactions
41. Fe 3 O 4 Templated Pyrolyzed Fe−N−C Catalysts. Understanding the role of N‐Functions and Fe 3 C on the ORR Activity and Mechanism
42. The reaction electronic flux: A new descriptor of the electronic activity taking place during a chemical reaction. Application to the characterization of the mechanism of the Schiff’s base formation in the Maillard reaction
43. Chemiluminescence emission in fenton reaction driven by 1,2-dihydroxybenzenes: Mechanistic approaches using 4-substituted ligands
44. Symmetry-adapted reaction electronic flux in cycloaddition reactions
45. Insights into the use of Au19Cu and Au19Pd clusters for adsorption of trivalent arsenic
46. Gold-copolymer nanoparticles: Poly(ε-caprolactone)/poly( N-vinyl-2-pyrrolydone) Biodegradable triblock copolymer as stabilizer and reductant
47. Nucleophilicity and electrophilicity of silylenes from a molecular electrostatic potential and dual descriptor perspectives
48. High-Level Coupled-Cluster Study on Substituent Effects in H2 Activation by Low-Valent Aluminyl Anions.
49. Fine structure in the transition region: reaction force analyses of water-assisted proton transfers
50. Influence of the monoclinic and tetragonal zirconia phases on the water gas shift reaction. A theoretical study
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