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
Isotope effects on product polarization and reaction mechanism in the Li + HF(v = 0, j = 0) → LiF + H reaction
✍ Scribed by Xian-Fang Yue; Mei-Shan Wang
- Book ID
- 118429518
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 1008 KB
- Volume
- 405
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
We consider a special case of the problem of computing the Galois group of a system of linear ordinary differential equations Y = M Y , M ∈ C(x) n×n . We assume that C is a computable, characteristic-zero, algebraically closed constant field with a factorization algorithm. There exists a decision pr
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