Phase Space Structures Explain Hydrogen Atom Roaming in Formaldehyde Decomposition.

@article{Mauguire2015PhaseSS,
  title={Phase Space Structures Explain Hydrogen Atom Roaming in Formaldehyde Decomposition.},
  author={Fr{\'e}d{\'e}ric A. L. Maugui{\`e}re and Peter Collins and Zeb C. Kramer and Barry K Carpenter and Gregory S. Ezra and Stavros C. Farantos and Stephen Wiggins},
  journal={The journal of physical chemistry letters},
  year={2015},
  volume={6 20},
  pages={4123-8}
}
We re-examine the prototypical roaming reaction--hydrogen atom roaming in formaldehyde decomposition--from a phase space perspective. Specifically, we address the question "why do trajectories roam, rather than dissociate through the radical channel?" We describe and compute the phase space structures that define and control all possible reactive events for… CONTINUE READING