Theoretical study on the reaction between uranium and O2
β Scribed by Maobing Shuai; Hu Hairong; Wang Xin; Zhao Pengji; Tian Anmin
- Book ID
- 114141297
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 486 KB
- Volume
- 536
- Category
- Article
- ISSN
- 0166-1280
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The doublet potential energy surface related to the reaction between PH + and H 2 O is investigated at the B3LYP/6-311G(d), CCSD(T)/6-311+G(2df,2pd) (single-point), MP2/6-311+G(2d,p), and G3B3 levels. A total of four products are generated via two entrances and H 2 O molecule can be attacked by eith
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## Abstract We report a theoretical study on the reaction of ozone with hydroxyl radical, which is important in the chemistry of the atmosphere and in particular participates in stratospheric ozone destruction. The reaction is a complex process that involves, in the first stage, a preβreactive hydr