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HO2 + O3 Reaction: Ab Initio Study and Implications in Atmospheric Chemistry

✍ Scribed by Viegas, Luís P.; Varandas, António J. C.


Book ID
115442718
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
185 KB
Volume
6
Category
Article
ISSN
1549-9618

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Ab initio study of the mechanism of the
✍ Julio Peiró-García; Ignacio Nebot-Gil 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 146 KB 👁 1 views

## Abstract The atmospheric reaction NO~2~ + O~3~ → 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