F
Frederic A. L. Mauguiere
Researcher at University of Bristol
Publications - 18
Citations - 362
Frederic A. L. Mauguiere is an academic researcher from University of Bristol. The author has contributed to research in topics: Phase space & Potential energy surface. The author has an hindex of 11, co-authored 18 publications receiving 329 citations. Previous affiliations of Frederic A. L. Mauguiere include University of Reims Champagne-Ardenne & Foundation for Research & Technology – Hellas.
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Journal ArticleDOI
Roaming: A Phase Space Perspective.
Frederic A. L. Mauguiere,Peter Collins,Zeb C. Kramer,Barry K. Carpenter,Gregory S. Ezra,Stavros C. Farantos,Stephen Wiggins +6 more
TL;DR: This review discusses the recently described roaming mechanism for chemical reactions from the point of view of nonlinear dynamical systems in phase space and shows that the phase space perspective on reaction dynamics provides the setting in which questions can be properly framed and answered.
Journal ArticleDOI
Multiple transition states and roaming in ion-molecule reactions: A phase space perspective
Frederic A. L. Mauguiere,Peter William Collins,Gregory S. Ezra,Stavros C. Farantos,Stephen Wiggins +4 more
TL;DR: In this article, the authors provide a dynamical interpretation of the recently identified "roaming" mechanism for molecular dissociation reactions in terms of geometrical structures in phase space.
Journal ArticleDOI
Roaming dynamics in ion-molecule reactions: Phase space reaction pathways and geometrical interpretation
Frederic A. L. Mauguiere,Peter R C Collins,Gregory S. Ezra,Stavros C. Farantos,Stephen Wiggins +4 more
TL;DR: In this paper, a model Hamiltonian for the reaction CH 4+→ CH 3+ + H, parametrized to exhibit either early or late inner transition states, is employed to investigate the dynamical characteristics of the roaming mechanism.
Journal ArticleDOI
Phase Space Structures Explain Hydrogen Atom Roaming in Formaldehyde Decomposition.
Frederic A. L. Mauguiere,Peter R C Collins,Zeb C. Kramer,Barry K. Carpenter,Gregory S. Ezra,Stavros C. Farantos,Stephen Wiggins +6 more
TL;DR: It is shown that in the roaming region, there is an unstable periodic orbit whose stable and unstable manifolds define a conduit that both encompasses all roaming trajectories exiting the formaldehyde well and shepherds them toward the H2···CO well.
Journal ArticleDOI
Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone
Frederic A. L. Mauguiere,Peter Collins,Zeb C. Kramer,Barry K. Carpenter,Gregory S. Ezra,Stavros C. Farantos,Stephen Wiggins +6 more
TL;DR: In this paper, it was shown that in the vicinity of hyperbolic invariant tori, it is possible to define phase space dividing surfaces that are analogous to the dividing surfaces governing transition from reactants to products near a critical point of the potential energy surface.