Problems |
| 35.1) |
On the H2 + H PES, sketch a trajectory wherein |
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a) high vibrational energy of reactants is converted to translational energy of products. |
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b) high translational energy of reactants is converted into high product vibrational energy. |
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| 35.2) |
Can rotational energies of reactants be indicated on the PES? Justify your answer. |
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| 35.3) |
Sketch an associative HC + N trajectory on the HCN PES. Also indicate a reactive HC + N  H + CN trajectory and a dissociative trajectory HC + N H + C + N. |
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| 35.4) |
Sketch two PESs; one with a deep reactants valley and a shallow product valley and another with a shallow reactant valley, moderate product valley and a very low dissociative plateau. How is the dynamics in these surfaces expected to differ from the H2 + H dynamics? |
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| 35.5) |
What are the qualitative differences between classical trajectories and "quantal trajectories" which are studied through the time evolution of wave functions? |
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| 35.6) |
For the simple harmonic oscillator, H = (1/ 2) k x2 + 1/ 2 px2 / m show that the Hamilton's equations are fully equivalent to Newton's laws. Here x is the position of the particle which is harmonically bound by a force constant k. |
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