Growth of Ionic Polymers on ZIFs to Construct Core-shell Hybrid Materials via Coordination Interactions for Catalytic CO₂ Conversion

This folder /DFT_optimized_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper

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Growth of Ionic Polymers on ZIFs to Construct Core-shell Hybrid Materials via Coordination Interactions for Catalytic CO₂ Conversion

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where conformers occur, they are always named from the lowest Gibbs energy to the highest in ascending order from c1 (sometimes omitted), c2, c3, ...