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Mathematical and Computational Applications is published by MDPI from Volume 21 Issue 1 (2016). Articles in this Issue were published by another publisher in Open Access under a CC-BY (or CC-BY-NC-ND) licence. Articles are hosted by MDPI on as a courtesy and upon agreement with the previous journal publisher.
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Math. Comput. Appl. 1999, 4(1), 75-81;

Structural Forms and Energies of Nin, n=12-14, Clusters

Department of Computer Engineering, Çnkaya University, 06530 Ankara, Turkey
Department of Mathematics, Bilkent University, 06530 Ankara, Turkey
Chemistry Division, Argonne National Laboratory, Argonne, IL 60439, USA
Authors to whom correspondence should be addressed.
Published: 1 April 1999
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Equilibrium structural forms of the Nin, n=12-14, clusters, as defined by an embedded-atom potential, are obtained using molecular dynamics and thermal quenching simulations. The isomers (locally stable geometric forms) are distinguished from those stationary structures that correspond to saddle points of the potential energy surface. Isomer statistics are obtained using a large number of initial quenching configurations generated along high-energy trajectories (the energies are high enough to “melt” the clusters). Probabilities of sampling the basins of attraction of the different isomers are computed and the spectra of their energies are analyzed.
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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Güvenç, Z.B.; Güvenç, D.; Jellinek, J. Structural Forms and Energies of Nin, n=12-14, Clusters. Math. Comput. Appl. 1999, 4, 75-81.

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