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Canonical variational transition-state surfaces . reaction path

The Canonical Variational Theory [39] is an extension of the Transition State Theory (TST) [40,41]. This theory minimizes the errors due to recrossing trajectories [42-44] by moving the dividing surface along the minimum energy path (MEP) so as to minimize the rate. The reaction coordinate (s) is defined as the distance... [Pg.249]

See other pages where Canonical variational transition-state surfaces . reaction path is mentioned: [Pg.170] [Pg.26] [Pg.142] [Pg.414] [Pg.4] [Pg.493] [Pg.230] [Pg.194] [Pg.60] [Pg.71] [Pg.89] [Pg.316] [Pg.495] [Pg.305] [Pg.72] [Pg.488] [Pg.591]

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Canonic reaction

Reaction path

Surface path

Surface reaction path

Surface states

Transition state surfaces

Transition states reactions

Variational transition states