Supporting datasets for "The need for Operando Modelling of 27Al NMR in Zeolites"
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资源简介：
tar of directory tree containing input files for VASP and CASTEP calculations of local geometries and NMR parameters (both static and dynamic) for systems described in the manuscript, including MOR and CHA in H and Na form and various water loadings.
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Zenodo创建时间：
2023-03-08
