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aylayl08(金币+1):thank you 2010-04-09 08:48
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Originally posted by zpppanda111 at 2009-11-24 15:54:53:
电子密度的Δ2ρ(r)=λ1+λ2+λ3, 其中λ1, λ2, λ3 为ρ(rc)在三个主轴方向的曲率. λi 为正(沿着键径的方向的曲率), 在沿键径的方向的rc 点电荷发散;λi 为负(垂直于键径方向的曲率), 那么在原子间界面上rc 点 ...

临界点的电子密度应该和键的强度,键长,还有键级没有直接的联系~~
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11楼2010-04-09 00:51:48
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