With the GIAO (gauge-independent atomic orbital) method, the 1H-NMR and 13C-NMR were also calculated theoretically.
采用规范不变原子轨道GIAO法，计算它们的1H-NMR和13C-NMR化学位移值。
With the GIAO (gauge-independent atomic orbital) method, the 1H-NMR and 13C-NMR were also calculated theoretically.
采用规范不变原子轨道GIAO法，计算它们的1H-NMR和13C-NMR化学位移值。
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