Strong Orbital Interaction in pi-pi Stacking System
classification
⚛️ physics.atm-clus
keywords
pi-pistackingsystemaromaticbenzenecalculationsdimerfunctional
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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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