| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382938 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠We present an analytical expression to calculate the two-dimensional Franck-Condon integrals. ⺠The photoelectron spectrum are simulated and the role of Duschinsky effects are clarified. ⺠The electron affinities of HCCl are calculated at the CCSD/6-311+G(2d, p) limit. ⺠The equilibrium geometry of HCClâ (XË2Aâ³) are deduced in the spectral simulation.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Zhang Jin, Ma Jianguo, Wang Zhongquan,