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Phase-space transition states

R. A. Marcus It is certainly necessary to include all of the reactive trajectories, those that lead to immediate dissociation and those that do not. As Wigner pointed out, in effect, one needs to include all of the phase space occupied by the assumed transition state. Exclusion of any of these trajectories would include part of that phase space. Transition state theory is (classically) an upper bound to the rate since the trajectory may include parts of the TS phase space twice (multiple crossings of the transition state). [Pg.815]

GEOMETRY OF PHASE-SPACE TRANSITION STATES MANY DIMENSIONS, ANGULAR MOMENTUM... [Pg.217]


See other pages where Phase-space transition states is mentioned: [Pg.219]    [Pg.221]    [Pg.223]    [Pg.225]    [Pg.227]    [Pg.229]    [Pg.231]    [Pg.233]    [Pg.235]    [Pg.237]    [Pg.239]    [Pg.241]    [Pg.243]    [Pg.245]    [Pg.247]    [Pg.249]    [Pg.251]    [Pg.253]    [Pg.255]    [Pg.257]    [Pg.259]    [Pg.261]    [Pg.263]    [Pg.265]   


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Angular momentum, phase-space transition state

Angular momentum, phase-space transition state geometry

Angular momentum, phase-space transition state potential

Chaotic transitions phase-space transition states

Dimensionality phase-space transition states

Hamiltonian systems phase-space transition states

Hyperbolicity phase-space transition states

Invariant structures phase-space transition states

Kinetic energy phase-space transition states

Linearization, phase-space transition state

Nonlinear dynamics phase-space transition states

Normally hyperbolic invariant manifolds phase-space transition states

Perturbation theory phase-space transition states

Phase space

Phase space theory orbiting transition state

Phase-space transition states Hamiltonian dynamics

Phase-space transition states Melnikov integral

Phase-space transition states additional potentials

Phase-space transition states atomic clusters

Phase-space transition states breakdown

Phase-space transition states dimensions

Phase-space transition states examples

Phase-space transition states general equations

Phase-space transition states momentum

Phase-space transition states nonlinearities

Phase-space transition states reaction paths

Phase-space transition states relative equilibrium

Phase-space transition states stationary points

Phase-space transition states structure

Phase-space transition states temperature

Saddle regions phase-space transition states

Stable/unstable manifolds phase-space transition states

State-space

Tangency, phase-space transition states

Temperature dependence phase-space transition states

Time scales phase-space transition states

Time-dependent equations phase-space transition states

Transitional space

Vibrational frequency phase-space transition states

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