遇见数据集

NHC-Mediated Photocatalytic Para-Selective C-H Acylation of Aryl Alcohols: Regioselectivity Control via Remote Radical Spiro Cyclization

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Zenodo2024-09-30 更新2026-05-26 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 "NHC-Mediated Photocatalytic Para-Selective C-H Acylation of Aryl Alcohols: Regioselectivity Control via Remote Radical Spiro Cyclization"

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Zenodo
创建时间:
2024-09-30
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