ChemInform Abstract: Quantum Instanton Evaluation of the Kinetic Isotope Effects and of the Temperature Dependence of the Rate Constant
β Scribed by Jiri Vanicek
- Book ID
- 112044403
- Publisher
- John Wiley and Sons
- Year
- 2012
- Weight
- 18 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0931-7597
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## Abstract Rate constant ratios __k__(__T__)/__k__(1,500K) for two symmetrical reactions H^β^ + H~2~ β H~2~ + H^β^ and H^+^ + H~2~ β H~2~ + H^+^ are reported. Direct method based on quantum instanton approximation for evaluation of the temperature dependence of the quantumβmechanical reaction rate
Absolute rate constants for the reaction OD + DNOJ have been determined at 297 + 2 K, using a pulsed laser photolysis-resonance absorption technique. The values (in cm3 mol-' s-l) obtained for DN03 alone and in the presence of 107 Torr SF, and at + 3a are (5.47 zb 0.75) x lo9 and (8.51+ 0.72) x lo9