Kinetic Analysis of a Reaction Path Network Including Ambimodal Transition States: A Case Study of an Intramolecular Diels-Alder Reaction.
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DOI: 10.1021/acs.jctc.1c01297
Abstract: This study proposes a methodology for the kinetic analysis of a reaction path network including ambimodal transition states (TSs), through which an ensemble of trajectories bifurcates to multiple minima in a phenomenon called dynamical bifurcation.… read more here.
Keywords: network including; reaction; reaction path; including ambimodal ... See more keywords