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2016-01-06
Strong Orbital Interaction in pi-pi Stacking System
Xiao-Xiao FuJian-Fu LiRui-Qin Zhang
文献摘要
A simple prototypical model of aromatic pi-pi stacking system – benzene sandwich dimer is investigated by ab initio calculations based on second-order Moller-Plesset perturbation theory (MP2) and Minnesota hybrid functional M06-2X.
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