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本文报导利用从头计算量子化学方法考察甲酰基的基态平衡构型,键角较应用INDO或CNDO/2计算的结果为优,更接近实验值。
In this paper, the ground state equilibrium configuration of formyl group is studied by using ab initio quantum chemical method. The result of bond angle is better than INDO or CNDO / 2, which is closer to the experimental value.