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Structural and electronic data of three first-row transition octahedral hexaaquametal(II) ions, metal=Cr, Ni or Cu
Structural and density functional theory calculated data of three octahedral hexaaquametal(II) ions containing different metals (Cr, Ni or Cu) are presented to illustrate different geometries these octahedral hexaaquametal(II) ions can have. The density functional theory optimized geometries exhibit...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Elsevier
2018
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6262161/ https://www.ncbi.nlm.nih.gov/pubmed/30533451 http://dx.doi.org/10.1016/j.dib.2018.11.055 |