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Kinetic energy phase-space transition states

Figure 11. Kinetic energy release distribution for metastable loss of CH4 from nascent Co(C3Hg)+ collision complexes. The "unrestricted" phase space theory curve assumes the entrance channel contains only an orbiting transition state, the exit channel has only an orbiting transition state (no reverse activation barrier), and there are no intermediate tight transition states that affect the dynamics. The "restricted" phase space theory calculation includes a tight transition state for insertion into a C-H bond located 0.08 eV below the asymptotic energy of the reactants. Figure 11. Kinetic energy release distribution for metastable loss of CH4 from nascent Co(C3Hg)+ collision complexes. The "unrestricted" phase space theory curve assumes the entrance channel contains only an orbiting transition state, the exit channel has only an orbiting transition state (no reverse activation barrier), and there are no intermediate tight transition states that affect the dynamics. The "restricted" phase space theory calculation includes a tight transition state for insertion into a C-H bond located 0.08 eV below the asymptotic energy of the reactants.
This equation states that the change in the free energy of the critical germ with the chemical potential per molecule of species / in the original phase (i.e., the mother liquor) equals the negative of the excess number An of molecules of type i in the nucleus over that present in the same volume of original space. The nucleation theorem is independent of the model and of the transition it holds true for classical nucleation theory, density functional theory, or cluster kinetic analysis and for gas-to-liquid or liquid-to-solid conversions. [Pg.310]


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Energy space

Energy, transition energies

Kinetic phase transition

Kinetic space

Kinetic transitions

Phase kinetic

Phase space

Phase transitions kinetics

Phase-space transition states

State-space

Transition energies

Transition, kinetics

Transition-state energies

Transitional space

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