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Mathematical and Computational Applications is published by MDPI from Volume 21 Issue 1 (2016). Previous articles were published by another publisher in Open Access under a CC-BY (or CC-BY-NC-ND) licence, and they are hosted by MDPI on mdpi.com as a courtesy and upon agreement with Association for Scientific Research (ASR).
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Article

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

by
Ziya B. Güvenç
1,*,
Dilek Güvenç
2,* and
Julius Jellinek
3,*
1
Department of Computer Engineering, Çnkaya University, 06530 Ankara, Turkey
2
Department of Mathematics, Bilkent University, 06530 Ankara, Turkey
3
Chemistry Division, Argonne National Laboratory, Argonne, IL 60439, USA
*
Authors to whom correspondence should be addressed.
Math. Comput. Appl. 1999, 4(1), 75-81; https://doi.org/10.3390/mca4010075
Published: 1 April 1999
Versions Notes

Abstract

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.

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MDPI and ACS Style

Güvenç, Z.B.; Güvenç, D.; Jellinek, J. Structural Forms and Energies of Nin, n=12-14, Clusters. Math. Comput. Appl. 1999, 4, 75-81. https://doi.org/10.3390/mca4010075

AMA Style

Güvenç ZB, Güvenç D, Jellinek J. Structural Forms and Energies of Nin, n=12-14, Clusters. Mathematical and Computational Applications. 1999; 4(1):75-81. https://doi.org/10.3390/mca4010075

Chicago/Turabian Style

Güvenç, Ziya B., Dilek Güvenç, and Julius Jellinek. 1999. "Structural Forms and Energies of Nin, n=12-14, Clusters" Mathematical and Computational Applications 4, no. 1: 75-81. https://doi.org/10.3390/mca4010075

APA Style

Güvenç, Z. B., Güvenç, D., & Jellinek, J. (1999). Structural Forms and Energies of Nin, n=12-14, Clusters. Mathematical and Computational Applications, 4(1), 75-81. https://doi.org/10.3390/mca4010075

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