规范不变原子轨道
网络 一给我哩giaogiao;谯;规范无关原子轨道(Gauge Independent Atomic Orbital)
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。