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
An ab initio potential energy surface and dynamics of the  → ArH+ + H reaction
✍ Scribed by Xinguo Liu; Huirong Liu; Qinggang Zhang
- Book ID
- 108109375
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 451 KB
- Volume
- 507
- Category
- Article
- ISSN
- 0009-2614
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