Morse bifurcations of transition states in bimolecular reactions

DOI10.1088/0951-7715/28/12/4303MaRDI QIDQ3467017zbMATH OpenOpenAlexFDO

Authors D. C. Strub, Robert S. MacKay

Publication date 26 January 2016

Published in Nonlinearity (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1501.00266

zbMATH Keywords

bimolecular reactionstransition state theorydividing surfacescollision theoriesMorse bifurcations

Mathematics Subject Classification ID

Dynamical systems in biology (37N25) Bifurcation problems for finite-dimensional Hamiltonian and Lagrangian systems (37J20) (n)-body problems (70F10)

Abstract: The transition states and dividing surfaces used to find rate constants for bimolecular reactions are shown to undergo qualitative changes, known as Morse bifurcations, and to exist for a large range of energies, not just immediately above the critical energy for first connection between reactants and products. Specifically, we consider capture between two molecules and the associated transition states for the case of non-zero angular momentum and general attitudes. The capture between an atom and a diatom, and then a general molecule are presented, providing concrete examples of Morse bifurcations of transition states and dividing surfaces. The reduction of the $n$-body systems representing the reactions is discussed and reviewed with comments on the difficulties associated with choosing appropriate charts and the global geometry of the reduced spaces.

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Cites work

• Bifurcations of transition states: Morse bifurcations
• Elimination of the nodes in problems ofn bodies
• Gauge Theory of Small Vibrations in Polyatomic Molecules
• Lectures on Mechanics
• Momentum maps and Hamiltonian reduction
• Relative equilibria in systems with configuration space isotropy
• Some Studies Concerning Rotating Axes and Polyatomic Molecules
• Stratified symplectic spaces and reduction
• The planetary \(N\)-body problem: symplectic foliation, reductions and invariant tori

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(9)

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• Dynamics associated with the normally hyperbolic invariant manifold that governs the ionization of hydrogen in a circularly polarized electric field
• scientific article; zbMATH DE number 2201940 (Why is no real title available?)
• The role of normally hyperbolic invariant manifolds (NHIMS) in the context of the phase space setting for chemical reaction dynamics
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