The nature of extraframework aluminum species and Brønsted acid site interactions under catalytic operating conditions
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资源简介：
This dataset contains example VASP and CP2K input files with VASP optimized strucure files in cif format and xyz trajectories for ab-initio molecular dynamics simulations performed on extraframework aluminum species in H-ZSM-5 unit cells.
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Zenodo创建时间：
2023-11-03
