Access to Unsaturated Bicyclic Lactones by Overriding Conventional C(sp3)–H Site Selectivity
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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 "<strong>Access to Unsaturated Bicyclic Lactones by Overriding Conventional C(<em>sp<sup>3</sup></em>)</strong><strong>-</strong><strong>H Site Selectivity</strong>" 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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2022-11-17
