Orbital Entanglement and The Double $d$-Shell Effect in Binary Transition Metal Molecules: Supplementary Material
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https://figshare.com/articles/dataset/Orbital_Entanglement_and_The_Double_d_-Shell_Effect_in_Binary_Transition_Metal_Molecules_Supplementary_Material/27245652
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资源简介：
Active space compositions, computed internuclear distances, vibrational frequencies, details of the DMRG-FCI calculation, remaining mutual information heatmaps, and configuration weights are availabe in the Supporting Information (PDF).
创建时间：
2024-11-01
