The gas-phase hydrogen-bonded complex between ozone and hydroperoxyl radical. A theoretical study.

@article{Mansergas2007TheGH,
  title={The gas-phase hydrogen-bonded complex between ozone and hydroperoxyl radical. A theoretical study.},
  author={Alex Mansergas and Josep M. Anglada},
  journal={The journal of physical chemistry. A},
  year={2007},
  volume={111 5},
  pages={976-81}
}
We report a theoretical study on the gas-phase hydrogen-bonded complexes formed between ozone and hydroperoxyl radical, which are of interest in atmospheric chemistry. We have employed CASSCF, CASPT2, QCISD, and CCSD(T) theoretical approaches employing 6-311+G(2df,2p) and aug-cc-pVTZ basis sets, and we have found three complexes whose stabilities are… CONTINUE READING