...为苯基、3-吡啶基和苯乙烯基)进行基态几何构型全优化,计算分子的电离势,P和电子亲和势EA等相关能量,并用Zemer间略微分重叠(ZINDO)和含..
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                intermediate neglect of differential overlay
     
    
    ... 硝基;硝酰基;nitro group 硝基;nitro-group;nitryl 间略微分重叠;INDO;intermediate neglect of differential overlay ...
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                intermediate neglect of differential
     
    
    ... 皂苷;碱皂体;皂素;皂甙;皂角苷;皂草苷;saponins 间略微分重叠;INDO;intermediate neglect of differential…… 苷;甙;glycoside ...
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