Rapid solid-state 29Si NMR chemical shift refinements of pure silica zeolite frameworks with an improved structure-to-shift correlation
收藏Mendeley Data2026-04-09 收录
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https://data.mendeley.com/datasets/m4zcs676rs/2
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资源简介：
Mathematica notebook for carrying out chemical shift structure refinements of zeolite frameworks; Chemical shift structure refinement data and results including NMR spectra (.jdx format) and initial and refined crystal structures (.cif files); Input and output files for CASTEP calculations of 29Si chemical shieldings.
