NMR Crystallography of the High-Pressure Form of a Multi-Component Active Pharmaceutical Ingredient
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This dataset contains the experimental solid-state NMR (ssNMR) raw data, Crystal Structure Prediction (CSP) results, and Density Functional Theory (DFT) calculated .cif files. Data structure: Experimental: Raw ssNMR data folders corresponding to Figures 1-4. Computational: CSP and DFT results at 0 MPa and 250 MPa.
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Zenodo创建时间：
2026-03-12
