Reactions of HSCH 2 Radical with O 2 , NO, and NO 2 : Ab Initio Calculations of Enthalpies of Reaction
β Scribed by Trindle, Carl; Romberg, Kristin
- Book ID
- 126844253
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 107 KB
- Volume
- 102
- Category
- Article
- ISSN
- 1089-5639
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## Abstract The atmospheric reaction NO~2~ + O~3~ β NO~3~ + O~2~ (1) has been investigated theoretically by using the MP2, G2, G2Q, QCISD, QCISD(T), CCSD(T), CASSCF, and CASPT2 methods with various basis sets. The results show that the reaction pathway can be divided in two different parts at the M
## Abstract For Abstract see ChemInform Abstract in Full Text.
## Abstract The rate constants for the reactions magnified image have been measured directly by flash photolysis and kinetic spectroscopy. At room temperature, __k__~3~ = (3.4 Β± 0.1) Γ 10^9^ L/molΒ·s, independent of pressure in the range of 55β400 torr, and __k__~6~ = (2.1 Β± 0.2) Γ 10^9^ L/molΒ·s.