73 citations · 523 across the 34 of their papers we have counts for
9 papers · 1 filter
Phase space structures causing the reaction rate decrease in the collinear hydrogen exchange reaction
Vladimír Krajňák, Holger Waalkens
The collinear hydrogen exchange reaction is a paradigm system for understanding chemical reactions. It is the simplest imaginable atomic system with degrees of freedom modeling…
Reaction dynamics through kinetic transition states
Ünver Çiftçi, Holger Waalkens
The transformation of a system from one state to another is often mediated by a bottleneck in the system's phase space. In chemistry these bottlenecks are known as \emph{transition…
Phase space structures governing reaction dynamics in rotating molecules
Unver Ciftci, Holger Waalkens
Recently the phase space structures governing reaction dynamics in Hamiltonian systems have been identified and algorithms for their explicit construction have been developed. Thes…
A periodic orbit formula for quantum reactions through transition states
Roman Schubert, Holger Waalkens, Arseni Goussev +1
Transition State Theory forms the basis of computing reaction rates in chemical and other systems. Recently it has been shown how transition state theory can rigorously be realized…
Geometrical Models of the Phase Space Structures Governing Reaction Dynamics
Holger Waalkens, Stephen Wiggins
Hamiltonian dynamical systems possessing equilibria of stability type display \emph{reaction-type dynamics} for energies close t…
Classical and Quantum Transport Through Entropic Barriers Modelled by Hardwall Hyperboloidal Constrictions
R. Hales, H. Waalkens
We study the quantum transport through entropic barriers induced by hardwall constrictions of hyperboloidal shape in two and three spatial dimensions. Using the separability of the…