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Polarizability of neutral copper clusters

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Abstract

Neutral copper clusters are characterized through their molecular structures, binding energy and electric dipole polarizability. It is shown that the mean and anisotropy of polarizability tensor are useful properties in the characterization and rationalization of reactivity and growth patterns in copper clusters. We also found a relationship between softness per atom and cubic root polarizability per atom which can be useful to get global softness in copper clusters.

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Acknowledgments

The authors acknowledge the financial support to FONDECYT through project numbers 1100291 and 1130072, and Millenium Nucleus CPC grant NC120082.

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Authors and Affiliations

  1. Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello, República 275, Santiago, Chile

    Pablo Jaque

  2. Laboratorio de Química Teórica Computacional (QTC), Facultad de Química, Pontificia, Universidad Católica de Chile, Casilla 306, Correo 22, Santiago, Chile

    Alejandro Toro–Labbé

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  1. Pablo Jaque
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  2. Alejandro Toro–Labbé
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Correspondence to Pablo Jaque.

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Jaque, P., Toro–Labbé, A. Polarizability of neutral copper clusters. J Mol Model 20, 2410 (2014). https://doi.org/10.1007/s00894-014-2410-6

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  • DOI: https://doi.org/10.1007/s00894-014-2410-6

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