Reaction rate calculation with time-dependent invariant manifolds
The identification of trajectories that contribute to the reaction rate is the crucial dynamical ingredient in any classical chemical reactivity calculation. This problem often requires a full scale numerical simulation of the dynamics, in particular if the reactive system is exposed to the influenc...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Default Article |
| Published: |
2012
|
| Subjects: | |
| Online Access: | https://hdl.handle.net/2134/15795 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|