Visualitzant Articles publicats (D-Q) per matèria "Reaccions químiques"

Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations?

Relations among several nuclear and electronic density functional reactivity indexes

Critical thoughts on computing atom condensed Fukui functions

Fast O2 Binding at Dicopper Complexes Containing Schiff-Base Dinucleating Ligands

O2 Activation and Selective Phenolate ortho Hydroxylation by an Unsymmetric Dicopper m-h1:h1 -Peroxido Complex

Facile C−H Bond Cleavage via a Proton-Coupled Electron Transfer Involving a C−H···CuII Interaction

Selective C–H oxidation catalyzed by metalloporphyrins

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The reactivity of endohedral fullerenes: What can be learnt from computational studies?

Dispersion Corrections Essential for the Study of Chemical Reactivity in Fullerenes

Nucleophilic Aryl Fluorination and Aryl Halide Exchange Mediated by a CuI/CuIII Catalytic Cycle

Functionalization of the 3-Position of Thiophene and Benzo[b]-thiophene Moieties by Palladium-Catalyzed CC Bond Forming Reactions using Diazonium Salts

Multireversible redox processes in pentanuclear bis(triple-helical) manganese complexes featuring an oxo-centered triangular {Mn II 2Mn III(μ 3-O)} 5+ or {Mn IIMn III 2(μ 3-O)} 6+ core wrapped by two {Mn II 2(bpp) 3} -

Electrophilic Arene Hydroxylation and Phenol OH Oxidations Performed by an Unsymmetric μ-η1:η1-O2-Peroxo Dicopper(II) Complex

Catalytic C–S, C–Se, and C–P Cross-Coupling Reactions Mediated by a CuI/CuIII Redox Cycle

An Assessment of the Validity of the Maximum Hardness Principle in Chemical Reactions

Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster

Stereoselective Epoxidation of Alkenes with Hydrogen Peroxide using a Bipyrrolidine-Based Family of Manganese Complexes

Robust iron coordination complexes with N-based neutral ligands as efficient fenton-like catalysts at neutral pH

Aromaticity as the driving force for the stability of non-IPR endohedral metallofullerene Bingel-Hirsch adducts

Ultrafast above-threshold dynamics of the radical anion of a prototypical quinone electron-acceptor

On the validity of the maximum hardness principle and the minimum electrophilicity principle during chemical reactions

A water soluble Mn (II) polymer with aqua metal bridges

A simple catalytic system based on PdCl2 (CH3CN) 2 in water for cross-coupling reactions using diazonium salts

The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes