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Theoretical Study on Sandwich-Like Transition-Metal–Cyclooctatetraene Clusters and One-Dimensional Infinite Molecular Wires
[Image: see text] Using density functional theory calculations, we investigated the structure and electronic properties of cyclooctatetraene (C(8)H(8), COT)-ligand mono- or bi-transition-metal (M) sandwich clusters, M(n)(COT)(n+1) (M = Sc, Ti, Cr, Mn, n = 1, 2) or (COT)M(1)(COT)M(2)(COT), as well as...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American
Chemical Society
2019
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648966/ https://www.ncbi.nlm.nih.gov/pubmed/31460064 http://dx.doi.org/10.1021/acsomega.9b00637 |