Results from a time-dependent quantum-mechanical study of the collinear reaction He+H: +HeH+ +H are reported in the form of reaction probability values as a function of the total energy of the system for different vibrational states of Hz. The resonances are related to flux patterns similar to that
Transition state resonances in collinear (H−, H2) collisions
✍ Scribed by Susanta Mahapatra; N. Sathyamurthy; Sanjay Kumar; F.A. Gianturco
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 452 KB
- Volume
- 241
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
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 energy surface for the system. The nature of the resonances is investigated by computing the corresponding eigenfunctions and their lifetimes.
📜 SIMILAR VOLUMES
H +Hz collisions at higher impact parameters can result in the trajectory being deflected towards a collinear Ha configuration by the long range barrier to the insertion mechanism. When the H2 molecule is stretched, this trajectory will be temporarily trapped within a well about the collinear config