Published May 28, 2024 | Version v2
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Kinetically-controlled Z-alkene Synthesis using Iron-catalysed Allene Dialkylation

Description

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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DFT_optimised_xyz_structures.zip

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