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Re^3: Abnormal binding erngy between H2 and Cu cluster calculated by MP2
JIA HUO
20509181@zju.edu.cn
By the way, I have tested the binding energy between H2 and benzene! The result is normal, and the binding energy approached to 0, when H2 was far away from benzene!
And the result was consitent with that from Gaussian 03!But for system containing transition metal, the result was abnormal!
Why this happened!
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Tue Nov 3 '09 8:48am
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