In the present paper, the variational transition-state theory (VTST) method has been used to carry out the dynamical calculations for the D À + H 2 ? HD + H À reaction and the H À + D 2 ? HD + D À reaction, respectively. The investigation of the variation of the potential energy curves and the bond
Effects of reagent vibrational excitation on the state-to-state quantum dynamics of the OH + CO → H + CO2 reaction in six dimensions (J = 0)
✍ Scribed by Chunrui Wang; Shu Liu; Dong H. Zhang
- Book ID
- 113555659
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 322 KB
- Volume
- 537
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Quasi-classical trajectory (QCT) method is used to calculate the stereodynamics of the reactions H + LiH (v = 0, j = 0) ? H 2 + Li and its isotopic variants based on the ground electronic state potential energy surface (PES) reported by Prudente et al. [14]. The reactive probabilities of the title r
Theoretical studies of the dynamics of the reaction F + DCl(v = 0, j = 0) ? DF + Cl are performed with quasi-classical trajectory (QCT) method on a recently computed 1 2 A 0 ground-state surface reported by Deskevich et al. [33]. The calculated QCT reaction probabilities for total angular momentum J