Dataset of energetically accessible structures of MgCl(2)/TiCl(4) clusters for Ziegler-Natta catalysts

This data article provides a dataset of the energetically accessible structures including the most stable structures of xMgCl(2)/yTiCl(4) nanoplates (x = 6–19, y = 0–4). TiCl(4)-capped MgCl(2) nanoplates are regarded as the building block of the Ziegler–Natta catalyst. The most stable structures wer...

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Detalhes bibliográficos
Publicado no:Data Brief
Main Authors: Takasao, Gentoku, Wada, Toru, Thakur, Ashutosh, Chammingkwan, Patchanee, Terano, Minoru, Taniike, Toshiaki
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2020
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Data Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7753921/
https://ncbi.nlm.nih.gov/pubmed/33364274
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2020.106654
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