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Principles of isomer stability in small clusters

In this work we study isomers of several representative small clusters to find principles for their stability. Our conclusions about the principles underlying the structure of clusters are based on a huge database of 44 000 isomers generated for 58 different clusters on the density functional theory...

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Detalles Bibliográficos
Autores principales:	Fisicaro, Giuseppe, Schaefer, Bastian, Finkler, Jonas A., Goedecker, Stefan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	RSC 2023
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10068428/ https://www.ncbi.nlm.nih.gov/pubmed/37026041 http://dx.doi.org/10.1039/d2ma01088g

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