...除去 bin 并对所有的 553 个数据点进行分析 将要花更长的时间,表明在数据点分布上有着显著的区别, 重叠密度(Overlap Density)技术 需要去除较多的分割点 separation。
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charge-density overlap integral 电荷密度重叠积分
charge density overlap integrals 电荷密度重叠积分
charge-density overlap integrals 电荷密度重叠积分
So if I try to rotate my 2 atoms, you see that I have to break that pi bond, because they need to be lined up so that the electron density can overlap.
如果我要试着转动两个原子,你会看到我必须要打破一个π键,因为他们需要连接起来,让那些电子能够重叠。
All right, so what we see here is we have our sigma bond that's along the internuclear axis here, but we also have a pi bond, because each of these atoms now has electrons in it's in a p orbital, so we're going to overlap of electron density above and below the bond.
这里我们看到sigma键,是沿着核间轴的,但我们还有一个π键,因为每个原子的p轨道上,都有电子,所以电子密度在键的上面,和下面都有电子密度交叠。
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