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Nature of the Ru−NO Coordination Bond: Kohn–Sham Molecular Orbital and Energy Decomposition Analysis
We have analyzed structure, stability, and Ru−NO bonding of the trans‐[RuCl(NO)(NH(3))(4)](2+) complex by using relativistic density functional theory. First, we focus on the bond dissociation energies associated with the three canonical dissociation modes leading to [RuCl(NH(3))(4)](+)+NO(+), [RuCl...
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| Publicat a: | ChemistryOpen |
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| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
John Wiley and Sons Inc.
2017
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5474663/ https://ncbi.nlm.nih.gov/pubmed/28638774 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/open.201700028 |
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