Connection between the upper and lower energy regions of the potential energy surface of the ground electronic state of the HSO2 system.

@article{Freitas2012ConnectionBT,
  title={Connection between the upper and lower energy regions of the potential energy surface of the ground electronic state of the HSO2 system.},
  author={Gabriel N Freitas and Juan D Garrido and Maikel Y Ballester and Marco Antonio Chaer Nascimento},
  journal={The journal of physical chemistry. A},
  year={2012},
  volume={116 29},
  pages={7677-85}
}
The importance of the HSO(2) system in atmospheric and combustion chemistry has motivated several works dedicated to the study of associated structures and chemical reactions. Nevertheless, controversy still exists about a possible connection between the upper and lower energy regions of the potential energy surface (PES) for the ground electronic state of the system. Very recently, a path to connect these regions was proposed based on studies at the CASPT2/aug-cc-pV(T+d)Z level of calculation… CONTINUE READING