Display Abstract

Title Bifurcations of transition states in bimolecular reactions

Name Dayal Strub
Country England
Email strubdayal@gmail.com
Co-Author(s) Robert MacKay
Submit Time 2014-02-02 09:13:39
Session
Special Session 113: Normal forms and molecules in motion through phase space bottlenecks
Contents
One way of finding rates of transport in Hamiltonian systems is to choose a dividing surface and compute the flux through it. This approach originated in physical chemistry, where it is used in transition state theory, but has since been applied to a multitude of fields. In this talk, we shall return to the original test-problems from the early days of transition state theory, namely bimolecular reactions in gaseous phase, and review them in the light of recent studies of the geometry and bifurcations of transition states. The reactions shall be considered in full generality, that is in 3D and with arbitrary angular momentum, and we shall find interesting sequences of Morse bifurcations of transition states and dividing surfaces.