High-throughput calculations and machine learning modeling of 17O NMR in non-magnetic oxides.
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DOI: 10.1039/d4fd00128a
Abstract: The only NMR-active oxygen isotope, oxygen-17 (17O), serves as a sensitive probe due to its large chemical shift range, the electric field gradient at the oxygen site, and the quadrupolar interaction. Consequently, 17O solid-state NMR… read more here.
Keywords: high throughput; 17o nmr; calculations machine; machine learning ... See more keywords