Roaming atoms and radicals: a new mechanism in molecular dissociation

AG Suits - Accounts of chemical research, 2008 - ACS Publications
The detailed description of chemical reaction rates is embodied in transition state theory
(TST), now recognized as one of the great achievements of theoretical chemistry. TST …

Roaming radicals

JM Bowman, BC Shepler - Annual review of physical chemistry, 2011 - annualreviews.org
Roaming is a recently verified unusual pathway to molecular products from unimolecular
dissociation of an energized molecule. Here we present the evidence for this pathway for …

Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation

BR Heazlewood, MJT Jordan… - Proceedings of the …, 2008 - National Acad Sciences
Reaction pathways that bypass the conventional saddle-point transition state (TS) are of
considerable interest and importance. An example of such a pathway, termed “roaming,” has …

Roaming Reactions and Dynamics in the van der Waals Region

AG Suits - Annual Review of Physical Chemistry, 2020 - annualreviews.org
Roaming reactions were first clearly identified in photodissociation of formaldehyde 15 years
ago, and roaming dynamics are now recognized as a universal aspect of chemical reactivity …

Roaming

JM Bowman - Molecular Physics, 2014 - Taylor & Francis
In this review the roaming pathway in chemical reaction dynamics is described and
illustrated. After a brief review and illustration of this pathway, an update on the chemical …

Theories and simulations of roaming

JM Bowman, PL Houston - Chemical Society Reviews, 2017 - pubs.rsc.org
The phenomenon of roaming in chemical reactions has now become both commonly
observed in experiment and extensively supported by theory and simulations. Roaming …

Roaming radical kinetics in the decomposition of acetaldehyde

LB Harding, Y Georgievskii… - The Journal of Physical …, 2010 - ACS Publications
A novel theoretical framework for predicting the branching between roaming and bond
fission channels in molecular dissociations is described and applied to the decomposition of …

Imaging chemical reactions–3D velocity mapping

AI Chichinin, KH Gericke, S Kauczok… - International Reviews in …, 2009 - Taylor & Francis
Visualising a collision between an atom or a molecule or a photodissociation (half-collision)
of a molecule on a single particle and single quantum level is like watching the collision of …

Roaming radical reactions

N Herath, AG Suits - The Journal of Physical Chemistry Letters, 2011 - ACS Publications
An unusual decomposition mechanism of highly vibrationally excited molecules, dubbed the
“roaming mechanism”, has recently been discovered and is now an active area of …

“Roaming” Dynamics in CH3CHO Photodissociation Revealed on a Global Potential Energy Surface

BC Shepler, BJ Braams… - The Journal of Physical …, 2008 - ACS Publications
We present a quasiclassical trajectory study of the photodissociation of CH3CHO to
molecular and radical products, CH4+ CO and CH3+ HCO, respectively, using global ab …