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Transition state theory search technique

Pathways between these two states can be enumerated using graph-theory techniques. We construct a graph where each node in the graph represents a minimum and each edge in the graph represents a transition state that connects two minima. The set of all pathways firom one minimum to another can be generated by an exhaustive search. [Pg.374]

See other pages where Transition state theory search technique is mentioned: [Pg.747] [Pg.209] [Pg.370] [Pg.483] [Pg.366] [Pg.576] [Pg.160] [Pg.52]

See also in sourсe #XX -- [ Pg.191 , Pg.192 ]

See also in sourсe #XX -- [ Pg.191 , Pg.192 ]

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Techniques theory

Transition State Searching

Transition state search