| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5386188 | Chemical Physics Letters | 2009 | 6 Pages |
Abstract
Gas phase hydrogen-bonded isomers of the O3-HONO complex have been investigated by means of B3LYP, MP2, MP4(SDTQ), CCSD(T) and QCISD(T) methods in conjunction with the 6-311++G(2d,2p), 6-311++G(df,pd), AUG-cc-pVDZ and AUG-cc-pVTZ basis sets. Ten isomers were found for the O3-HONO complex. The most stable isomer (A1) has a non-planar ring structure.
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Authors
Hossein Roohi, Masomeh Ashuri,