Green and practical synthesis of noncrystalline ZIF/poly ammonium salt composites
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This folder /DFT_optimized_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper "Green and practical synthesis of noncrystalline ZIF/poly ammonium salt composites" 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：
2024-08-12
