Programmable Selective Acylation of Saccharides Mediated by Carbene and Boronic Acid
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This folder /final_xyz_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper "Programmable Selective Acylation of Saccharides Mediated by Carbene and Boronic Acid" 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：
2022-03-05
