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Transition states and dynamical bottlenecks in the Li-NC <-> Li-CN isomerizing reaction with the Lagrangian betweenness
We study the vibrational dynamics that is responsible for Li-NC Li-CN isomerization reaction using the Lagrangian betweenness, a tool recently developed to identify dynamical bottlenecks in the context of oceanographic transport. Following the spirit of the betweenness-centrality metric, which e
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