Interfragment Interactions in Outer-Sphere Radical Addition Control Z-Selectivity in Iron-Catalyzed Allene Dialkylation
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This folder /DFT_optimized_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper "Interfragment Interactions in Outer-Sphere Radical Addition Control Z-Selectivity in Iron-Catalyzed Allene Dialkylation". For the convenience of .xyz file management and usage, '_prime' is used to represent ( ' ).
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Zenodo创建时间：
2026-07-25
