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Rate Coefficients for the Reactions of OH with CF 3 CH 2 CH 3 (HFC-263fb), CF 3 CHFCH 2 F (HFC-245eb), and CHF 2 CHFCHF 2 (HFC-245ea) between 238 and 375 K †

✍ Scribed by Rajakumar, B.; Portmann, R. W.; Burkholder, James B.; Ravishankara, A. R.


Book ID
126165810
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
109 KB
Volume
110
Category
Article
ISSN
1089-5639

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Rate coefficients for the reaction of OH
✍ Mohamad Akbar Ali; B. Rajakumar 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 325 KB 👁 1 views

## Abstract Rate coefficients for the reaction of the hydroxyl radical with CF~3~CH~2~CH~3~ (HFC‐263fb) were computed using __ab initio__ methods, viz. MP2, G3MP2, and G3B3 theories between 200 and 400 K. Structures of the reactants in the ground state (GS) and transition state (TS) were optimized