| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395033 | Computational and Theoretical Chemistry | 2011 | 7 Pages |
Abstract
⺠We present an analytical expression to calculate the two-dimensional Franck-Condon integrals. ⺠The electron affinity of ClO2 are calculated at the CCSD(T) CBS limit. ⺠The photoelectron spectrum of ClO2- are simulated and the role of Duschinsky effects and hot bands are clarified. ⺠The equilibrium geometry of ClO2- are deduced in the spectral simulation.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Chao Pan, Xiuyuan Liang, Ruijun Wang, Songtao Tao, Jun Liang, Zhifeng Cui,