Non-crystalline Zeolitic Imidazolate Frameworks Tethered with Ionic Liquids as Catalysts for CO2 Conversion into Cyclic Carbonates
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https://zenodo.org/record/10399394
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This folder /final_logs/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper
"Design of Non-crystalline Zeolitic Imidazolate Frameworks Tethered with Ionic Liquids as Highly Active and Stable Catalysts for Mild CO2 Conversion into Cyclic Carbonates"
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：
2024-02-15
