| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374743 | Chemical Physics | 2011 | 6 Pages |
Abstract
⺠⺠The NC2n+1N+ chains are more susceptible to fragmentation than NC2nN+ clusters. ⺠The BLA character of X2Ðg/u is more evident than corresponding 12Ðu/g excited state. ⺠CASPT2 method can give reliable results for vertical transition energy calculations. ⺠The nonlinear λ -n relationship has been found in NC2n+1N+ (n = 1-6). The 22Ðu/g â X2Ðg/u transition may be detected more easily in the further experiments.
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Authors
Yuan Zhao, Jia Guo, Jinglai Zhang,