Benchmark Study on the Calculation of 119Sn NMR Chemical Shifts.
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DOI: 10.1021/acs.inorgchem.1c03453
Abstract: A new benchmark set termed SnS51 for assessing quantum chemical methods for the computation of 119Sn NMR chemical shifts is presented. It covers 51 unique 119Sn NMR chemical shifts for a selection of 50 tin… read more here.
Keywords: 119sn nmr; benchmark study; spin orbit; chemical shifts ... See more keywords