An Ab initio study of reactions in the H3BO3/B2O3/H2O system
✍ Scribed by V. G. Slutskii; E. S. Severin; L. A. Polenov
- Book ID
- 111472294
- Publisher
- Pleiades Publishing
- Year
- 2007
- Tongue
- English
- Weight
- 249 KB
- Volume
- 1
- Category
- Article
- ISSN
- 1990-7931
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## Abstract The deviation of the NH~2~ pseudo‐first‐order decay Arrhenius plots of the NH~2~ + O~3~ reaction at high ozone pressures measured by experimentalists, has been attributed to the regeneration of NH~2~ radicals due to the subsequent reactions of the products of this reaction with ozone. A
An MP4 full,SDTQ r6-311qqG d,p rrMP2 full r6-311qq Ž . G d,p ab initio study was performed of the reactions of formyl and isoformyl cations with H O and NH , which play an important role in flame and 2 3 interstellar chemistries. Two different confluent channels were located leading to CO q H O q r