Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants - Dataset
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https://zenodo.org/record/4068221
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资源简介：
Supplementary information for "Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants"
The attached 'Pu-inner-outer.zip' unpacks two directories that contains the optimized molecular structures in xyz format.
- Inner-sphere/ for the inner-sphere complexes
- Outer-sphere/ for the outer-sphere complexes in their geometries I and II
创建时间：
2020-10-08
