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THE INTERACTION OF ATOMIC OXYGEN WITH SMALL COPPER CLUSTERS: A THEORETICAL APPROACH
(Sociedad Chilena de Química, 2005)
Electronic properties of small bimetallic LinCum (n, m ≤ 4) clusters. A comparison with Lin and Cun clusters
(2005)
The electronic structure and geometry of clusters of the type Li nCum, LinCum+1 (n, m ≤ 4), Lin, and Cun (n ≤ 8) were theoretically investigated using density functional methods. The LinCum bimetallic system is important ...
Structural, electronic and magnetic properties of copper(I) cubic clusters
(Elsevier Ltd, 2020-11-02)
We report the molecular and electronic structure, and the calculated electronic excitation energies, using the time dependent density functional methodologies (TD-DFT), and the induced magnetic field (Bi) of a series of ...
Síntese e caracterização estrutural de clusters derivados de fenilcalcogenolato de cobre(I)
(Universidade Federal de Santa MariaBRQuímicaUFSMPrograma de Pós-Graduação em Química, 2013-08-09)
In this work the synthesis and structural analysis of new copper(I) phenylchalcogenolate clusters will be presented. The reaction between sodium phenylchalcogenolate and copper(I) chloride generates a basic building block ...
Effect of Ni and Pd on the geometry, electronic properties, and active sites of copper clusters
(American Chemical Society, 2006)
The geometry, electronic properties, and active sites of copper clusters doped with Ni or Pd atoms, Cun-1M (n = 2-6; M = Ni, Pd) have been investigated using first-principles methods. Planar structures are energetically ...
Synthesis and characterization of alpha-zirconium (IV) hydrogenphosphate containing metallic copper clusters.
(Soc Brasileira QuimicaSao PauloBrasil, 2005)
A Novel Copper Cobalt Inorganometallic Cluster. Synthesis, Structure and Bonding Analysis of Cu3{í2-(CCHCo2(CO)6)}3
(2002)
The reaction of the organometallic carboxylic acid HOOCCCHCo2(CO)6 with copper(II) methoxide leads to a new
inorganometallic cluster; Cu3{í2-(CCHCo2(CO)6)}3. This cluster has a triangular core of copper(I) centers ...