Quasiclassical trajectory study of the effect of reactant rotation on the reaction B+ + HD → BH+ (BD+) + D(H)
✍ Scribed by Viliam Klimo; Ján Urban; Jozef Tiňo
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 699 KB
- Volume
- 159
- Category
- Article
- ISSN
- 0301-0104
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We present a quasiclassical trajectory study of H + HOD ( v,, ul, Y, ) with an emphasis on how the reaction cross section and the branching between OH and OD products varies with the initial vibrational state of HOD and with relative translational energy. Comparison of the results for initial states
State-resolved integral and differential cross sections and product energy partitioning have been calculated for the reaction O(JD) + HD(v = 0, j = 0-1) ~ OH(OD) + D(H) by means of quasi-classical trajectory (QCT) calculations at a collision energy of 0.197 eV (19 kJ mol -~ ) using the potential ene