π-π stacking between polyaromatic hydrocarbon sheets beyond dispersion interactions.

@article{Silva2016SB,
  title={$\pi$-$\pi$ stacking between polyaromatic hydrocarbon sheets beyond dispersion interactions.},
  author={Nadeesha J. Silva and Francisco B. C. Machado and Hans Lischka and Ad{\'e}lia J. A. Aquino},
  journal={Physical chemistry chemical physics : PCCP},
  year={2016},
  volume={18 32},
  pages={
          22300-10
        }
}
High level ab initio calculations ranging from coupled cluster methods including explicitly correlated approaches to standard second order Møller-Plesset theory using spin scaling (SOS-MP2) have been performed on sandwich and slipped parallel dimer structures of a series of quasi one-dimensional acenes and on two-dimensional sheets containing the pyrene to coronene series encircled with two layers of benzene rings. Sandwich (graphitic AA type) and slipped parallel (AB type) structures were… 

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The SAPT(DFT)-based decomposition into physical quantities of the interaction energies shows the dominant effect of the dispersion interactions with a weaker electrostatic contribution due to penetration effects.
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