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Pure isotropic proton NMR spectra in solids using deep learning

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DataCite Commons2026-03-12 更新2026-05-04 收录
下载链接:
https://archive.materialscloud.org/doi/10.24435/materialscloud:jk-zx
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资源简介:
The resolution of proton solid-state NMR spectra is usually limited by broadening arising from dipolar interactions between spins. Magic-angle spinning alleviates this broadening by inducing coherent averaging. However, even the highest spinning rates experimentally accessible today are not able to completely remove dipolar interactions. Here, we introduce a deep learning approach to determine pure isotropic proton spectra from a two-dimensional set of magic-angle spinning spectra acquired at different spinning rates. Applying the model to 8 organic solids yields high-resolution 1H solid-state NMR spectra with isotropic linewidths in the 50-400 Hz range.
提供机构:
Materials Cloud
创建时间:
2025-06-24
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