遇见数据集

A Unified Platform for Chiral Tertiary Alcohols via Palladium-Catalyzed Enantioselective C–H Activation

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Zenodo2026-05-31 更新2026-06-05 收录
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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 "A Unified Platform for Chiral Tertiary Alcohols via Palladium-Catalyzed Enantioselective C–H Activation".

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Zenodo
创建时间:
2026-05-31
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