Ck~sical trajectory cakuk~tions for the collinea\_r H+H2 exchange reaction weie performed QSiIIg the same poten-. ## I&J merg surface pretiou+ly adopted for exact quantum mechanical calculationr Reactions of bath sound state amjv-ibrationdy excited aate reagent were wwidered, over a relative kine
A mixed quantum classical rate theory for the collinear H+H[sub 2] reaction
β Scribed by Zheng, Yujun; Pollak, Eli
- Book ID
- 120993386
- Publisher
- American Institute of Physics
- Year
- 2001
- Tongue
- English
- Weight
- 413 KB
- Volume
- 114
- Category
- Article
- ISSN
- 0021-9606
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π SIMILAR VOLUMES
The classical (CSC), prirnitive (PSC), md uniform (USC) semi-Jassical expressions for reactive transition probabilities of Miller and co-workers have been used to obtain reaction probabilities for the collinear H + Hz exchange reaction. Comparisons with exact quantum results for the 0 4 0 transition
A new potential surface for the collinear F+Hz reaction, generated using a combination of rotated Morse curves and an MRD-CI electronic structure calculation, gave a barrier height of 3.99 kcaI/mol. Quasiclassical (forward) trajectory calculations show product vibrational distributions with the same
An ink& equation ieection path techtique hzs been used to calculate, within. the collkc~ app;oximaSon, rcnc:Ion piOb2bilitieSfOi the reStion He + Hz\* HC& r H over the ener\_g rans 0.95 G E Q 1.19 eV. Tkis rextion diffsis from those that have been studied previously v~ithin the coPib.ezr zpprotiiati