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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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Detalles Bibliográficos
Autores principales:	Du, Jiguang, Sun, Xiyuan, Jiang, Gang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2016
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4848887/ https://www.ncbi.nlm.nih.gov/pubmed/27077844 http://dx.doi.org/10.3390/ijms17040414

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