| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374862 | Chemical Physics | 2011 | 5 Pages |
Abstract
⺠Red emitter DCDPC is studied by density functional theory (DFT) and time dependent (TD)DFT. ⺠The electronic and geometrical structures for the ground and first excited state are given. ⺠The experimental absorption and fluorescence spectra are reproduced by calculations. ⺠The performance of 10 exchange-correlation functionals is given. ⺠M06 emerges as the most effective functionals.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Xiaojun Liu, Xiao Zhang, Yanbing Hou, Feng Teng, Zhidong Lou,