Table A.5
Numbers of nonreactive and reactive trajectories, maximal impact parameter (bmax), and total reaction probability (P) for the HCl+(X2Π) + H2(X1Σg)−→ H2Cl+(X1A1) + H(2S) reaction in the QCT calculations.
| T (K) | bmax (Å) | N nonreative | N H−abs | N H−ex | N total | P |
|
|
||||||
| 300 | 11.2 | 16 665 | 4077 | 10 | 20752 | 0.197 ± 0.003 |
|
|
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| 250 | 11.4 | 16 719 | 4405 | 7 | 21131 | 0.209 ± 0.003 |
|
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||||||
| 200 | 11.7 | 16 544 | 4709 | 10 | 21263 | 0.222 ± 0.003 |
|
|
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| 150 | 12.0 | 16 266 | 4932 | 18 | 21216 | 0.233 ± 0.003 |
|
|
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| 100 | 12.5 | 15 791 | 5509 | 27 | 21327 | 0.260 ± 0.003 |
|
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| 50 | 13.1 | 16 201 | 6571 | 42 | 22814 | 0.290 ± 0.003 |
|
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| 20 | 13.8 | 13 960 | 7409 | 63 | 21432 | 0.349 ± 0.003 |
Notes. Nnonreative, NH−abs, NH−ex, and Ntotal denote the numbers of the nonreactive, reactive H-abstraction, reactive H-exchange, and total trajectories, respectively.
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