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Exploring the Interaction Natures in Plutonyl (VI) Complexes with Topological Analyses of Electron Density
The interaction natures between Pu and different ligands in several plutonyl (VI) complexes are investigated by performing topological analyses of electron density. The geometrical structures in both gaseous and aqueous phases are obtained with B3LYP functional, and are generally in agreement with a...
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| Publicado no: | Int J Mol Sci |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4848887/ https://ncbi.nlm.nih.gov/pubmed/27077844 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms17040414 |
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