Reaction Paths and Reactivity
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NEB Transition State

These examples focus on preparing reaction coordinates, running NEB or
transition-state workflows, and automating common reactivity studies.

* Nudged Elastic Band (NEB) for gasphase reaction with DFTB

* Transition State: Initial guess from PESScan

* Automated Transition-State Workflow for a Diels-Alder Addition

* Reaction Discovery with ReaxFF
