Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants - Dataset
收藏NIAID Data Ecosystem2026-03-12 收录
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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
