| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374183 | Chemical Physics | 2012 | 8 Pages |
Abstract
⺠Isomerization and ionization of N2O4 on model ice and silica surfaces were studied computationally. ⺠MP2 and B3LYP methods were used. ⺠Asymmetric ONONO2 and separate ion pair NO+NO3â were found to be isoenergetic. ⺠Dangling surface -OH bonds were found to play a key role in the isomerization. ⺠Proposed mechanism may play a role in HONO production in the atmosphere.
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Authors
Hanna Lignell, Mychel E. Varner, Barbara J. Finlayson-Pitts, R. Benny Gerber,