Quantum Transition State Theory for the Collinear H + H 2 Reaction
โ Scribed by Liao, Jie-Lou; Pollak, Eli
- Book ID
- 127204246
- Publisher
- American Chemical Society
- Year
- 2000
- Tongue
- English
- Weight
- 107 KB
- Volume
- 104
- Category
- Article
- ISSN
- 1089-5639
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The possibility of reactive scattering resonances in collinear (H-, H2) collisions is examined by computing the transition state spectra obtained by Fourier transforming temporal autocorrelation functions for wavepackets placed initially in the transition state region of the ab initio potential ener
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
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