The phase space geometry underlying roaming reaction dynamics
نویسندگان
چکیده
منابع مشابه
Roaming dynamics in ion-molecule reactions: phase space reaction pathways and geometrical interpretation.
A model Hamiltonian for the reaction CH4(+) -> CH3(+) + H, parametrized to exhibit either early or late inner transition states, is employed to investigate the dynamical characteristics of the roaming mechanism. Tight/loose transition states and conventional/roaming reaction pathways are identified in terms of time-invariant objects in phase space. These are dividing surfaces associated with no...
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ژورنال
عنوان ژورنال: Journal of Mathematical Chemistry
سال: 2018
ISSN: 0259-9791,1572-8897
DOI: 10.1007/s10910-018-0895-4