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Theoretical investigation on the ground state properties of the hexaamminecobalt(iii) and nitro–nitrito linkage isomerism in pentaamminecobalt(iii) in vacuo
Nitro–nitrito isomerization in Co(NH(3))(5)NO(2)(2+) linkage isomers was investigated with a focus on the geometries, relative stabilities and chemical bonding using ωB97XD/6-31+G(d,p) to elucidate the photo-salient effect in [Co(NH(3))(5)NO(2)]NO(3)Cl. Different techniques like atoms in molecules (...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9077707/ https://www.ncbi.nlm.nih.gov/pubmed/35541161 http://dx.doi.org/10.1039/c7ra11603a |