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Ab initio study of NO 2

✍ Scribed by Hirsch, Gerhard; Buenker, Robert J.; Petrongolo, Carlo


Book ID
120418828
Publisher
Taylor and Francis Group
Year
1990
Tongue
English
Weight
787 KB
Volume
70
Category
Article
ISSN
0026-8976

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Ab initio study of the mechanism of the
✍ Julio PeirΓ³-GarcΓ­a; Ignacio Nebot-Gil πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 146 KB πŸ‘ 1 views

## 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