Structure and stability of small copper clusters (original) (raw)

Density Functional Theory Study of Copper Clusters

Perla Balbuena

The Journal of Physical Chemistry B, 1999

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Local Density Functional Study of Copper Clusters: A Comparison between Real Clusters, Model Surface Clusters, and the Actual Metal Surface

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Study of the Geometric Structure of Low-Atomic Copper Clusters Using Computer Simulation

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Structural and energetic analysis of copper clusters: MD study of Cu n (n = 2-45)

Mustafa Boyukata

Journal of the Brazilian Chemical Society, 2008

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Characterization of copper clusters through the use of density functional theory reactivity descriptors

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The Journal of Chemical Physics, 2002

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Estimating the Impact of an All-Electron Basis Set and Scalar Relativistic Effects on the Structure, Stability, and Reactivity of Small Copper Clusters

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DFT study of electronic structure and geometry of anionic copper clusters< span>< img height

Aliaksei Mazheika

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Density Functional Study of the Structure and Properties of Cu 9 and Cu 9 - †

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Journal of Chemical Theory and Computation, 2007

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Density-functional study of the pure and palladium doped small copper and silver clusters

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Small Copper Clusters in Ar Shells: A Study of Local Structure

Roy L Johnston

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Copper Clusters Study of Geometric Structure Using Computer Simulation

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Electronic and geometric structure of the copper (Cun) cluster anions (n .ltoreq. 10)

Ulf Wahlgren

The Journal of Physical Chemistry, 1990

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Structural and electronic properties of small CuO m clusters

Yann Pouillon

Applied Surface Science, 2004

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Monte Carlo computer simulation of copper clusters

Sakir Erkoc

Physical Review A, 1999

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Unsupported nanometer-sized copper clusters studied by electron diffraction and molecular dynamics

Seppo Valkealahti

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The Formation of Neutral Copper Clusters from Experimental Binding Energies and Reactivity Descriptors

Pablo Jaque

The Journal of Physical Chemistry B, 2004

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A computational study on CunN0,±1 (n=1–4) clusters by density functional methods

Jorge Morales

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A density functional global optimisation study of neutral 8-atom Cu-Ag and Cu-Au clusters

Roy L Johnston

The European Physical Journal D, 2013

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Comparison of static polarizabilities of Cu[sub n], Na[sub n], and Li[sub n] (n≤9) clusters

Alberto Vela

The Journal of Chemical Physics, 2000

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Structure and energetics of CuN clusters with (2⩽N⩽150): An embedded-atom-method study

Valeri Grigoryan

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Synthesis and characterization of a nano Cu2 cluster

Sayantan Pathak

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Cluster calculations of electronic structure of the compounds CuO and YBa2Cu3Ox (x=6.0, 6.5, 7.0 and 7.5) by the CNDO method

Philip J Jennings

Journal of Structural Chemistry, 1992

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Core-valence correlation effects on some Cu clusters

Lars Pettersson

Chemical Physics, 1991

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Structure and energetics of nickel, copper, and gold clusters

Valeri Grigoryan

The European Physical Journal D, 2005

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Molecular-dynamics simulation of the structural stability, energetics, and melting of Cun(n=13−135)Cu_{n}\ (n=13-135)Cun(n=13135) clusters

Cem Özdoğan

Zeitschrift f�r Physik D Atoms, Molecules and Clusters, 1997

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Structures and Energetics of Cu21-Cu71 Clusters: A Molecular Dynamics Study

suleyman ozcelik

2010

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Comparison of molecular graphs of Li n , Na n and Cu n ( n = 2-5) clusters obtained from the density and the molecular electrostatic potential

Patrizia Calaminici

International Journal of Quantum Chemistry, 2012

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First principles studies on the growth of small Cu clusters and the dissociative chemisorption of H2

Robert Forrey

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Molecular Structure and Bonding of Copper Cluster Monocarbonyls Cu n CO ( n = 1−9)

Albert Poater

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Magnetic properties of small cobalt–copper clusters

José Mejía-López

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Ab initio density-functional studies of 13-atom Cu and Ag clusters

Parthapratim Biswas

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