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From Transition-State Geometry to Gap Times: What Lagrangian Betweenness Measures in Chemical Reaction Dynamics

Wiggins, Stephen
arXiv (OAI Expanded) · Papers
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chaotic-dynamicschemical-physicsdynamical-systems
A chemical transition state is a phase-space bottleneck: trajectories approach along stable directions and leave along unstable directions. Lagrangian betweenness (LB), introduced in finite-time transport theory for fluid flows, combines backward and forward deformation in a way suggestive of this g
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