%0 Journal Article %1 Mauguière2014282 %A Mauguière, Frédéric A.L. %A Collins, Peter %A Ezra, Gregory S. %A Farantos, Stavros C. %A Wiggins, Stephen %D 2014 %J Chemical Physics Letters %K ODEs analysis chemistry classical dynamics mathematics mechanics physics qualitative reaction unread %P 282-287 %R 10.1016/j.cplett.2013.12.051 %T Multiple transition states and roaming in ion–molecule reactions: A phase space perspective %U http://www.sciencedirect.com/science/article/pii/S000926141301539X %V 592 %X Abstract We provide a dynamical interpretation of the recently identified ‘roaming’ mechanism for molecular dissociation reactions in terms of geometrical structures in phase space. These are \NHIMs\ (Normally Hyperbolic Invariant Manifolds) and their stable/unstable manifolds that define transition states for ion–molecule association or dissociation reactions. The associated dividing surfaces rigorously define a roaming region of phase space, in which both reactive and non reactive trajectories can be trapped for arbitrarily long times.

@article{Mauguière2014282, abstract = {Abstract We provide a dynamical interpretation of the recently identified ‘roaming’ mechanism for molecular dissociation reactions in terms of geometrical structures in phase space. These are \{NHIMs\} (Normally Hyperbolic Invariant Manifolds) and their stable/unstable manifolds that define transition states for ion–molecule association or dissociation reactions. The associated dividing surfaces rigorously define a roaming region of phase space, in which both reactive and non reactive trajectories can be trapped for arbitrarily long times. }, added-at = {2014-01-25T03:08:22.000+0100}, author = {Mauguière, Frédéric A.L. and Collins, Peter and Ezra, Gregory S. and Farantos, Stavros C. and Wiggins, Stephen}, biburl = {https://www.bibsonomy.org/bibtex/221bfb7c0e575c2b5c5c183ede9f0716d/drmatusek}, doi = {10.1016/j.cplett.2013.12.051}, interhash = {6cc47cc11020bf20a0542ad3cc4421ab}, intrahash = {21bfb7c0e575c2b5c5c183ede9f0716d}, issn = {0009-2614}, journal = {Chemical Physics Letters }, keywords = {ODEs analysis chemistry classical dynamics mathematics mechanics physics qualitative reaction unread}, month = jan, pages = {282-287}, timestamp = {2014-01-25T03:08:22.000+0100}, title = {Multiple transition states and roaming in ion–molecule reactions: A phase space perspective }, url = {http://www.sciencedirect.com/science/article/pii/S000926141301539X}, volume = 592, year = 2014 }