Listar Departament de Química por autor "Agencia Estatal de Investigación"
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%VBur index and steric maps: from predictive catalysis to machine learning

Deciphering the Allosterically Driven Conformational Ensemble in Tryptophan Synthase Evolution

A flexible self-folding receptor for coronene

Enantioselective C-H Lactonization of Unactivated Methylenes Directed by Carboxylic Acids

A Unified Electro- and Photocatalytic CO2 to CO Reduction Mechanism with Aminopyridine Cobalt Complexes

Can We Safely Obtain Formal Oxidation States from Centroids of Localized Orbitals?

Do Carbon Nano‐onions Behave as Nanoscopic Faraday Cages? A Comparison of the Reactivity of C60, C240, C60@C240, Li+@C60, Li+@C240, and Li+@C60@C240

Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems

Stoichiometric formation of an oxoiron(IV) complex by a soluble methane monooxygenase type activation of O2 at an iron(II)-cyclam centre

Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications

MOF Encapsulation of Ru Olefin Metathesis Catalysts to Block Catalyst Decomposition

Mechanism of the Facile Nitrous Oxide fixation by Homogeneous Ruthenium Hydride Pincer Catalysts

Controlling Two-Photon Action Cross Section by Changing a Single Heteroatom Position in Fluorescent Dyes

Not Guilty on Every Count: The “Non‐Innocent” Nitrosyl Ligand in the Framework of IUPAC′s Oxidation‐State Formalism

Nicht in jedem Punkt schuldig: Der “nicht‐unschuldige” Nitrosyl‐Ligand in IUPACs Oxidationsstufen‐Empfehlung

[Pd(NHC)(μ-Cl)Cl]2: Versatile and Highly Reactive Complexes for Cross-Coupling Reactions that Avoid Formation of Inactive Pd(I) Off-Cycle Products

Understanding the Performance of a Bisphosphonate Ru catalyst for Water Oxidation Catalysis

Solid-phase synthesis of biaryl cyclic lipopeptides derived from arylomycins

Mechanistic Insights into the ortho-Defluorination-Hydroxylation of 2‑Halophenolates Promoted by a Bis(μ-oxo)dicopper(III) Complex

Bingel-Hirsch Addition of Diethyl Bromomalonate to Ion-Encapsulated Fullerene M@C60 (M = 0, Li+, Na+, K+, Mg+2, Ca+2, and Cl-).

Enzyme Conformation Influences the Performance of Lipase-powered Nanomotors

Conformational Landscapes of Halohydrin Dehalogenases and Their Accessible Active Site Tunnels

Beyond the Classical Electron‐Sharing and Dative Bond Picture: Case of the Spin‐Polarized Bond

Über die klassische Elektronenpaar‐ und die dative Bindung hinaus: Die Spin‐polarisierte Bindung