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arXiv · 1601.01150

Strong Orbital Interaction in pi-pi Stacking System

Xiao-Xiao Fu·Jian-Fu Li·Rui-Qin Zhang
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Abstract

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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Xiao-Xiao Fu, Jian-Fu Li, Rui-Qin Zhang. 2016-01-06. Strong Orbital Interaction in pi-pi Stacking System. https://arxiv.org/abs/1601.01150

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