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Static and dynamical isomerization of Cu(38) cluster

The lowest-energy geometrical and electronic structures of Cu(38) cluster are investigated by density-functional calculations combined with a genetic algorithm based on a many body semi-empirical interatomic potential, the traditional FCC-truncated Octahedron (OH) and an incomplete-Mackay icosahedro...

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Библиографические подробности
Опубликовано в: :Sci Rep
Главные авторы: Zhang, Chuanchuan, Duan, Haiming, Lv, Xin, Cao, Biaobing, Abliz, Ablat, Wu, Zhaofeng, Long, Mengqiu
Формат: Artigo
Язык:Inglês
Опубликовано: Nature Publishing Group UK 2019
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC6527573/
https://ncbi.nlm.nih.gov/pubmed/31110223
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-44055-z
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