21 citations · 99 across the 15 of their papers we have counts for
5 papers · 1 filter
Strong Trajectorial Ontological Differentiation: A novel approach to unravel phase-space structures
P. García-Cuadrillero, J. A. Capitán, F. Revuelta
The identification of invariant objects and Lagrangian coherent structures is a cornerstone of dynamical systems. As a consequence, several diagnostic indicators have been establis…
Bifurcations and phase-space structures in KCN molecular system
F. Revuelta, F. J. Arranz, R. M. Benito +1
In this work, we analyze the evolution of the phase-space structures of KCN molecular system as a function of the vibrational energy using Lagrangian descriptors. For low energies,…
Identification of the invariant manifolds of the LiCN molecule using Lagrangian descriptors
F. Revuelta, R. M. Benito, F. Borondo
In this paper, we apply Lagrangian descriptors to study the invariant manifolds that emerge from the top of two barriers existing in the LiCN<->LiNC isomerization reaction. We demo…
Rate calculation with correlated noise
Thomas Bartsch, F. Revuelta, R. M. Benito +1
The usual identification of reactive trajectories for the calculation of reaction rates requires very time-consuming simulations, particularly if the environment presents memory ef…
Transition State Theory for solvated reactions beyond recrossing-free dividing surfaces
F. Revuelta, Thomas Bartsch, P. L. Garcia-Muller +3
The accuracy of rate constants calculated using transition state theory depends crucially on the correct identification of a recrossing--free dividing surface. We show here that it…