Browsing Departament de Química by Title

[10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer

2(1H)-Pyrazinones from acyclic building blocks: methods of synthesis and further derivatizations

[2+2+2] cycloaddition reactions involving allenes catalysed by rhodium

Thesis open access ​

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[2+2+2] Cycloaddition Reactions of Macrocyclic Systems Catalyzed by Transition Metals. A Review

2,5-Dimethylfuran as a Validated Biomarker of Smoking Status

2D Carbon Nitride as Support of Single Cu, Ag, and Au Atoms for Carbon Dioxide Reduction Reaction

3D and 2D aromaticies like oil and water in the case of benzocarborane derivatives

(4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature

A basis set superposition error-free second-order perturbation theory from Hermitian chemical Hamiltonian approach self-consistent field canonic orbitals

Article open access ​

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A Bifunctional Peptide Conjugate That Controls Infections of Erwinia amylovora in Pear Plants

A biomimetic iron catalyst for the epoxidation of olefins with molecular oxygen at room temperature

A bottom up approach towards artificial oxygenases by combining iron coordination complexes and peptides

A change in the oxidation state of iron: Scandium is not innocent

Article embargoed access ​

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A Common Active Intermediate in the Oxidation of Alkenes, Alcohols and Alkanes with H2O2 and a Mn(II)/Pyridin-2-Carboxylato Catalyst

A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods

A complete guide on the influence of metal clusters in the diels-alder regioselectivity of Ih-C80 endohedral metallofullerenes

A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts

Article open access ​

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A Computational Study of the Intermolecular [2+2+2] Cycloaddition of Acetylene and C60 Catalyzed by Wilkinson's Catalyst

A conical intersection model to explain aggregation induced emission in diphenyl dibenzofulvene

A Copper-based Supramolecular Nanocapsule that Enables Straightforward Purification of Sc3N-based Endohedral Metallofullerene Soots

A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity

A CuI /CuIII prototypical organometallic mechanism for the deactivation of an active pincer-like CuI catalyst in Ullmann-type couplings

A Deep cavitand receptor functionalized with Fe(II) and Mn(II) aminopyridine complexes for bioinspired oxidation catalysis

A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals