Does the most stable formic acid tetramer have pi stacking or C-H...O interactions?

@article{Karpfen2006DoesTM,
  title={Does the most stable formic acid tetramer have pi stacking or C-H...O interactions?},
  author={Alfred Karpfen and Ajit J. Thakkar},
  journal={The Journal of chemical physics},
  year={2006},
  volume={124 22},
  pages={224313}
}
Density functional theory (DFT), Moller-Plesset (MP) perturbation theory, and coupled-cluster calculations are used to examine low-energy minima on the potential energy surface of the formic acid tetramer (HCOOH)(4). The potential energy surface is rather flat with respect to rotation of one of the dimers, relative to the other dimer in an aligned stack, about the axis passing through the inversion centers of the dimers. Our best calculations suggest that an aligned pi-pi stack of two dimers is… CONTINUE READING

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