XYZ files of geometry optimized structures of photoswitchable luminescent trityl diradicaloid
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XYZ coordinates of geometry optimized structures of photoswitchable luminescent trityl diradicaloid by DFT methods (UB3LYP-D3/def2-TZVP and UM06-2X/def2-TZVP D3zero) All calculations were performed using ORCA 6.0.0
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Zenodo创建时间：
2026-06-10
