73 citations · 513 across the 21 of their papers we have counts for
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Roaming at Constant Kinetic Energy: Chesnavich's Model and the Hamiltonian Isokinetic Thermostat
Vladimír Krajňák, Gregory S. Ezra, Stephen Wiggins
We consider the roaming mechanism for chemical reactions under the nonholonomic constraint of constant kinetic energy. Our study is carried out in the context of the Hamiltonian is…
Bifurcations of Normally Hyperbolic Invariant Manifolds and Consequences for Reaction Dynamics
F. A. L. Mauguiere, P. Collins, G. S. Ezra +1
In this paper we study the breakdown of normal hyperbolicity and its consequences for reaction dynamics; in particular, the dividing surface, the flux through the dividing surface…
Single versus double bond breakage in a Morse chain under tension: higher index saddles and bond healing
F. A. L. Mauguiere, P. Collins, G. S. Ezra +1
We investigate the fragmentation dynamics of an atomic chain under tensile stress. We have classified the location, stability type (indices) and energy of all equilibria for the ge…
Phase space geometry and reaction dynamics near index two saddles
Gregory S. Ezra, Stephen Wiggins
We study the phase space geometry associated with index 2 saddles of a potential energy surface and its influence on reaction dynamics for degree-of-freedom (DoF) Hamiltonian s…