Density Functional Study to Investigate the Ability of (ZnS)(n) (n = 1–12) Clusters Removing Hg(0), HgCl, and HgCl(2) via Electron Localization Function and Non−Covalent Interactions Analyses

In this study, the density functional theory is used to study the ability of (ZnS)(n) clusters to remove Hg(0), HgCl, and HgCl(2) and reveals that they can be absorbed on (ZnS)(n) clusters. According to electron localization function (ELF) and non−covalent interactions (NCI) analyses, the adsorption...

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Detalles Bibliográficos
Autores principales: Tian, Zhimei, Song, Chongfu, Wu, Hai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9919409/
https://www.ncbi.nlm.nih.gov/pubmed/36770880
http://dx.doi.org/10.3390/molecules28031214

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9919409/
https://www.ncbi.nlm.nih.gov/pubmed/36770880
http://dx.doi.org/10.3390/molecules28031214

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