Kinetically controlled Z-alkene synthesis using iron-catalysed allene dialkylation
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This folder contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper "Kinetically controlled Z-selective catalytic allene dialkylation" 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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Zenodo创建时间：
2024-05-28
