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Evaluation of Exchange-Correlation Functionals for Calculating 1H and 13C NMR Chemical Shifts of a Series of Lactones and Lactams in Solution

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Figure

Fig 1.  Molecular structures of the lactones and lactams studied
Table 1. The 1H NMR chemical shifts of lactones calculated using 14 exchange-correlation functionals and 6-311G+(2d,p) basis set in
Table 3. The 1H NMR chemical shifts of lactams calculated using 14 exchange-correlation functionals and 6-311G+(2d,p) basis set in
Table 4. The 13C NMR chemical shifts of lactams calculated using 14 exchange-correlation functionals and 6-311G+(2d,p) basis set in
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