These entities can be found by generating equidistant, spring-connected “images” in a modification to the nudged elastic band or NEB method. For 10 points each:
[10m] Name these entities that correspond to local maxima on a reaction coordinate diagram. “Late” types of these entities resemble products according to Hammond’s postulate.
ANSWER: transition states [accept TS; prompt on activated complexes]
[10e] Transition states can be identified by finding paths that minimize this quantity on their namesake surfaces. The Hamiltonian of a given system is composed of terms for this quantity and its kinetic counterpart.
ANSWER: potential energy [accept potential energy surfaces or PES; prompt on energy]
[10h] Unlike NEB, this method uses molecular geometry constraints to interpolate linear or quadratic paths through a maxima. Peng and Schlegel applied quasi-Newton methods to optimize results first obtained using this method.
ANSWER: synchronous transit methods [accept linear synchronous transit methods or LSTs; accept quadratic synchronous transit methods or QSTs; accept synchronous transit-guided quasi-Newton methods or STQNs; prompt on transit methods]
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