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Published in 2022 at "Journal of chemical theory and computation"
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.…
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Keywords:
network including;
reaction;
reaction path;
including ambimodal ... See more keywords