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Complexation and bonding studies on [Ru(NO)(H(2)O)(5)](3+) with nitrate ions by using density functional theory calculation
Complexation reactions of ruthenium–nitrosyl complexes in HNO(3) solution were investigated by density functional theory (DFT) calculations in order to predict the stability of Ru species in high-level radioactive liquid waste (HLLW) solution. The equilibrium structure of [Ru(NO)(NO(3))(3)(H(2)O)(2)...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055096/ https://www.ncbi.nlm.nih.gov/pubmed/35516215 http://dx.doi.org/10.1039/d0ra05042c |