| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384369 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠The absorption and emission properties in four solvents of an organic light emitting molecule with donor-Ï-acceptor structure have been studied by both experiment and theory. ⺠The performance of 10 exchange-correlation functionals within the framework of TDDFT/PCM is discussed. ⺠TD-M06 and TD-PBE0 functionals are the best methods to reproduce the experimental absorption and emission spectra as well as the Stokes shift.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Xiaojun Liu, Dan Yang, Haidong Ju, Feng Teng, Yanbing Hou, Zhidong Lou,