Access to Unsaturated Bicyclic Lactones by Overriding Conventional C(sp3)–H Site Selectivity
收藏Mendeley Data2024-06-27 更新2024-06-27 收录
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https://zenodo.org/record/7329959
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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, ...
创建时间：
2023-06-28
