遇见数据集

Access to Unsaturated Bicyclic Lactones by Overriding Conventional C(sp3)–H Site Selectivity

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NIAID Data Ecosystem2026-03-14 收录
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This folder /final_xyz/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper "Access to Unsaturated Bicyclic Lactones by Overriding Conventional C(sp3)-H Site Selectivity" Where conformers occur, they are always named from the lowest Gibbs energy to the highest in ascending order from c1 (sometimes omitted), c2, c3, ...

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2023-01-10
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