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Adsorption of lindane (γ-hexachlorocyclohexane) on nickel modified graphitic carbon nitride: a theoretical study
Adsorption of lindane (HCH) on nickel modified graphitic carbon nitride (Ni-gCN) was investigated using a novel, accurate and broadly parametrized self-consistent tight-binding quantum chemical (GFN2-xTB) method. Two graphitic carbon nitride (gCN) models were used: corrugated and planar, which repre...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9034011/ https://www.ncbi.nlm.nih.gov/pubmed/35479347 http://dx.doi.org/10.1039/d1ra03797h |