Controlled Catalyst Speciation and Aryne Release Enable Nickel-Catalyzed Dearomative Ring Expansion
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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 "Controlled Catalyst Speciation and Aryne Release Enable Nickel-Catalyzed Dearomative Ring Expansion". For the convenience of .xyz file management and usage, “_prime” is used to represent ( ' ).
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Zenodo创建时间：
2026-07-24
