首页> Molecules (Basel, Switzerland)> Density Functional Study to Investigate the Ability of (ZnS)n (n = 1-12) Clusters Removing Hg0, HgCl, and HgCl2 via Electron Localization Function and Non-Covalent Interactions Analyses.

Density Functional Study to Investigate the Ability of (ZnS)n (n = 1-12) Clusters Removing Hg0, HgCl, and HgCl2 via Electron Localization Function and Non-Covalent Interactions Analyses.

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第一作者： Zhimei,Tian

第一单位： School of Chemistry and Materials Engineering, Fuyang Normal University, Fuyang 236037, China.

作者： Zhimei,Tian ^[1] ; Chongfu,Song ^[1] ; Hai,Wu ^[1]

作者单位： School of Chemistry and Materials Engineering, Fuyang Normal University, Fuyang 236037, China. ^[1]

关键词 (ZnS)n clusters Hg0 HgCl and HgCl2 adsorption electron localization function (ELF)non?covalent interactions (NCI) analysis

DOI 10.3390/molecules28031214

PMID 36770880

发布时间 2024-09-12

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Molecules (Basel, Switzerland)

2023年28卷3期

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Density Functional Study to Investigate the Ability of (ZnS)<i><sub>n</sub></i> (<i>n</i> = 1-12) Clusters Removing Hg<sup>0</sup>, HgCl, and HgCl<sub>2</sub> via Electron Localization Function and Non-Covalent Interactions Analyses.

Molecules (Basel, Switzerland)

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Density Functional Study to Investigate the Ability of (ZnS)<i><sub>n</sub></i> (<i>n</i> = 1-12) Clusters Removing Hg<sup>0</sup>, HgCl, and HgCl<sub>2</sub> via Electron Localization Function and Non-Covalent Interactions Analyses.

Molecules (Basel, Switzerland)

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Molecules (Basel, Switzerland)

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