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Searching for Stable Si(n)C(n) Clusters: Combination of Stochastic Potential Surface Search and Pseudopotential Plane-Wave Car-Parinello Simulated Annealing Simulations

To find low energy Si(n)C(n) structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simu...

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Detalles Bibliográficos
Autores principales:	Duan, Xiaofeng F., Burggraf, Larry W., Huang, Lingyu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2013
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270377/ https://www.ncbi.nlm.nih.gov/pubmed/23881049 http://dx.doi.org/10.3390/molecules18078591

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