自洽场分子轨道法
自洽场分子轨道法-
Mo、Co主要分布在籽粒中；半经验CNDO自洽场分子轨道法在共价半导体研究中的应用
Applications of Semiempirical CNDO SCF MO to Covalent Semiconductors Studies
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异腈与羟基化合物形成氢键的自洽场分子轨道法研究
Investigation of hydrogen bond formation between isonitriles and hydroxyl compounds by SCF MO methods
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用半经验的自洽场分子轨道法（CNDO/2）与电毛细曲线、微分电容曲线研究了1.4丁炔二醇在汞电极上的吸附特性。
The adsorption characteristics of 1 . 4-butynediol at dropping mercury electrode ( DME ) were studied by electrocapillary curves , differential capacity curves and semiempirical SCFMO method ( CNDO / 2 ) . The atomic charge distribution in the molecule supports its horizontal orientation at the electrode .