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physics.chem-ph2026
Transition states and dynamical bottlenecks in the Li-NC <-> Li-CN isomerizing reaction with the Lagrangian betweenness
P. García-Cuadrillero, F. Revuelta, R. M. Benito +1
We study the vibrational dynamics that is responsible for Li-NC <-> Li-CN isomerization reaction using the Lagrangian betweenness, a tool recently developed to identify dynamical b…
physics.chem-ph2015★ 19 cited
Transition State Theory for dissipative systems without a dividing surface
F. Revuelta, Thomas Bartsch, R. M. Benito +1
Transition State Theory is a central cornerstone in reaction dynamics. Its key step is the identification of a dividing surface that is crossed only once by all reactive trajectori…