# The phase space mechanism for selectivity in a symmetric potential energy surface with a post-transition-state bifurcation

@article{Agaoglou2020ThePS, title={The phase space mechanism for selectivity in a symmetric potential energy surface with a post-transition-state bifurcation}, author={Makrina Agaoglou and V. J. Garc{\'i}a-Garrido and Matthaios Katsanikas and Stephen Wiggins}, journal={Chemical Physics Letters}, year={2020}, volume={754}, pages={137610} }

## 12 Citations

### Phase space analysis of the dynamics on a potential energy surface with an entrance channel and two potential wells.

- PhysicsPhysical review. E
- 2020

The analysis of the geometrical template of phase space structures that governs transport in a Hamiltonian system described by a potential energy surface with an entrance/exit channel and two wells separated by an index-1 saddle reveals that the stable and unstable manifolds of the two families of unstable periodic orbits (UPOs) are responsible for controlling access to the potential wells of the trajectories that enter the system through the entrance/ exit channel.

### Phase space structure and escape time dynamics in a Van der Waals model for exothermic reactions.

- PhysicsPhysical review. E
- 2020

Random Gaussian bumps have been added to the Van der Waals potential energy to simulate the short-range effects between the particles in the system to compare both variants of the model and explain their differences and similarities from a phase space perspective.

### From Poincaré Maps to Lagrangian Descriptors: The Case of the Valley Ridge Inflection Point Potential

- Physics
- 2021

In this paper we compare the method of Lagrangian descriptors with the classical method of Poincaré maps for revealing the phase space structure of two-degree-of-freedom Hamiltonian systems. The…

### Revealing the phase space structure of Hamiltonian systems using the action

- Physics, Mathematics
- 2021

In this work, we analyse the properties of the Maupertuis’ action as a tool to reveal the phase space structure for Hamiltonian systems. We construct a scalar field with the action’s values along the…

### Bifurcation of Dividing Surfaces Constructed from Period-Doubling Bifurcations of Periodic Orbits in a Caldera Potential Energy Surface

- MathematicsInt. J. Bifurc. Chaos
- 2022

In this work we analyze the bifurcation of dividing surfaces that occurs as a result of two period-doubling bifurcations in a 2D caldera-type potential. We study the structure, the range, the minimum…

### The Influence of a Parameter that Controls the Asymmetry of a Potential Energy Surface with an Entrance Channel and Two Potential Wells

- PhysicsRegular and Chaotic Dynamics
- 2022

In this paper we study an asymmetric valley-ridge inflection point (VRI) potential, whose energy surface (PES) features two sequential index-1 saddles (the upper and the lower), with one saddle…

### Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes Based on Reduced-Dimension Space

- ChemistryTopics in Current Chemistry
- 2022

To analyze chemical reaction dynamics based on a reaction path network, we have developed the “Reaction Space Projector” (ReSPer) method with the aid of the dimensionality reduction method. This…

### Bifurcation study on a degenerate double van der Waals cirque potential energy surface using Lagrangian descriptors

- PhysicsCommun. Nonlinear Sci. Numer. Simul.
- 2022

### The Time Evolution of the Trajectories After the Selectivity in a Symmetric Potential Energy Surface with a Post-transition-state Bifurcation

- PhysicsRegular and Chaotic Dynamics
- 2021

Selectivity is an important phenomenon in chemical reaction dynamics. This can be quantified by the branching ratio of the trajectories that visit one or the other well to the total number of…

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