F(2P) + C2H6 → HF + C2H5 kinetics study based on a new analytical potential energy surface.

@article{EspinosaGarcia2018F2PC,
  title={F(2P) + C2H6 → HF + C2H5 kinetics study based on a new analytical potential energy surface.},
  author={Joaquin Espinosa-Garcia and Jos{\'e} C. Corchado and M Garcia-Chamorro and Cipriano Rangel},
  journal={Physical chemistry chemical physics : PCCP},
  year={2018},
  volume={20 30},
  pages={
          19860-19870
        }
}
An exhaustive kinetics study was performed for the title reaction using two theoretical approaches: variational transition-state theory and quasi-classical trajectory calculations, based on an original new analytical full-dimensional potential energy surface, named PES-2018, which has been fitted to high-level ab initio calculations. The theoretical results… CONTINUE READING