| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381814 | Chemical Physics Letters | 2013 | 25 Pages |
Abstract
- The potential curves of low-lying states of NCO2+ are given by CASSCF calculation.
- Some regions of crossings, avoided crossings and conical intersections are pointed.
- NCO2+ (X 2Î , a 4Σâ) is metastable and the major dissociation channel is assigned.
- Pre-dissociation processes may occur in the electronic states lying at 3-8Â eV.
- The electronic states above 8Â eV are repulsive.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Xue Yang, Bing Yan, Haifeng Xu, Ruihan Zhu, Meixia Zhang, Dajun Ding,