Phase-space resolved rates in driven multidimensional chemical reactions.

  title={Phase-space resolved rates in driven multidimensional chemical reactions.},
  author={Matthias Feldmaier and Robin Bardakcioglu and Johannes Reiff and Jorg Main and Rigoberto Hernandez},
  journal={The Journal of chemical physics},
  volume={151 24},
Chemical reactions in multidimensional driven systems are typically described by a time-dependent rank-1 saddle associated with one reaction and several orthogonal coordinates (including the solvent bath). To investigate reactions in such systems, we develop a fast and robust method-viz., local manifold analysis (LMA)-for computing the instantaneous decay rate of reactants. Specifically, it computes the instantaneous decay rates along saddle-bound trajectories near the activated complex by… 

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